From 97f303e6f8d17d339983fae6b52cdc254feb7121 Mon Sep 17 00:00:00 2001 From: Huub Van Dam Date: Fri, 29 Oct 2010 18:04:21 +0000 Subject: [PATCH] HvD: In the CVS era the $Id: $ tags in the source code files would automatically be expanded to include useful information about the checkin (including the file's revision number). With the switch over to SVN this was lost because SVN only does this expansion if you explicitly ask for it (for every single file). I have added a script to the contrib directory that sets the appropriate property to get SVN to do this expansion. This script will make it easy to do this every time new source files are added. It is called svn_expand_Id, the script contains some comments that explain the issue and how it addresses this. This checkin sets this property for a subset of the relevant files (trying to commit all files at once failed with svn crashing). In future the script will only affect those files for which the property was not set before. --- INSTALL | 2 +- INSTALL.binbuilds | 2 +- QA/HOW-TO-RUN-TESTS | 2 +- QA/domknwchemrc | 2 +- QA/doqmmmtests.mpi | 2 +- QA/doqmtests | 2 +- QA/doqmtests.mpi | 2 +- QA/doqmtests.tcg5 | 2 +- QA/dormnwchemrc | 2 +- QA/dotcetests | 2 +- QA/nqetests | 2 +- QA/nwparse.pl | 2 +- QA/runtest.batch | 2 +- QA/tests/c60_ecp/c60_ecp.nw | 2 +- QA/tests/c60_ecp/c60_ecp.out | 2 +- QA/tests/cytosine_ccsd/cytosine_ccsd.nw | 2 +- QA/tests/dft_cr2/dft_cr2.nw | 2 +- QA/tests/dft_cr2/dft_cr2.out | 2 +- QA/tests/h2o_selci/h2o_selci.nw | 2 +- QA/tests/h2o_selci/h2o_selci.out | 2 +- QA/tests/h3tr1/README | 2 +- QA/tests/hess_ch4/hess_ch4.out | 2 +- QA/tests/oh3tr3/README | 2 +- QA/tests/sad_ch3hf/sad_ch3hf.nw | 2 +- QA/tests/sad_ch3hf/sad_ch3hf.out | 2 +- contrib/Fixinclude | 2 +- contrib/aix-renamer | 2 +- contrib/basissets/Dyall/dyall_nradz | 2 +- contrib/basissets/Dyall/dyall_nratz | 2 +- contrib/basissets/Dyall/dyall_nrcdz | 2 +- contrib/basissets/Dyall/dyall_nrcpdz | 2 +- contrib/basissets/Dyall/dyall_nrctz | 2 +- contrib/basissets/Dyall/dyall_nrpvdzfi | 2 +- contrib/basissets/Dyall/dyall_nrpvtzfi | 2 +- contrib/basissets/Dyall/dyall_reladzfi_sf_fw | 2 +- contrib/basissets/Dyall/dyall_reladzfi_sf_lc | 2 +- contrib/basissets/Dyall/dyall_reladzfi_sf_sc | 2 +- contrib/basissets/Dyall/dyall_relaqzfi_sf_fw | 2 +- contrib/basissets/Dyall/dyall_relaqzfi_sf_lc | 2 +- contrib/basissets/Dyall/dyall_relaqzfi_sf_sc | 2 +- contrib/basissets/Dyall/dyall_relatzfi_sf_sc | 2 +- contrib/basissets/Dyall/dyall_relcdzfi_sf_fw | 2 +- contrib/basissets/Dyall/dyall_relcdzfi_sf_lc | 2 +- contrib/basissets/Dyall/dyall_relcdzfi_sf_sc | 2 +- contrib/basissets/Dyall/dyall_relcpdzfi_sf_fw | 2 +- contrib/basissets/Dyall/dyall_relcpdzfi_sf_lc | 2 +- contrib/basissets/Dyall/dyall_relcpdzfi_sf_sc | 2 +- contrib/basissets/Dyall/dyall_relcqzfi_sf_fw | 2 +- contrib/basissets/Dyall/dyall_relcqzfi_sf_lc | 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+- .../basissets/Dyall_DMD/aug-cc-pvdz_fi_sf_sc | 2 +- .../basissets/Dyall_DMD/aug-cc-pvdz_pt_sf_fw | 2 +- .../basissets/Dyall_DMD/aug-cc-pvdz_pt_sf_lc | 2 +- .../basissets/Dyall_DMD/aug-cc-pvdz_pt_sf_sc | 2 +- .../basissets/Dyall_DMD/aug-cc-pvqz_fi_sf_fw | 2 +- .../basissets/Dyall_DMD/aug-cc-pvqz_fi_sf_lc | 2 +- .../basissets/Dyall_DMD/aug-cc-pvqz_fi_sf_sc | 2 +- .../basissets/Dyall_DMD/aug-cc-pvqz_pt_sf_fw | 2 +- .../basissets/Dyall_DMD/aug-cc-pvqz_pt_sf_lc | 2 +- .../basissets/Dyall_DMD/aug-cc-pvqz_pt_sf_sc | 2 +- .../basissets/Dyall_DMD/aug-cc-pvtz_fi_sf_fw | 2 +- .../basissets/Dyall_DMD/aug-cc-pvtz_fi_sf_lc | 2 +- .../basissets/Dyall_DMD/aug-cc-pvtz_fi_sf_sc | 2 +- .../basissets/Dyall_DMD/aug-cc-pvtz_pt_sf_fw | 2 +- .../basissets/Dyall_DMD/aug-cc-pvtz_pt_sf_lc | 2 +- .../basissets/Dyall_DMD/aug-cc-pvtz_pt_sf_sc | 2 +- contrib/basissets/Dyall_DMD/dyall_nrapvdz_fi | 2 +- .../basissets/Dyall_DMD/dyall_nrpcapvdz_fi | 2 +- contrib/basissets/Dyall_DMD/dyall_nrpcpvdz_fi | 2 +- contrib/basissets/Dyall_DMD/dyall_nrpvdz_fi | 2 +- .../basissets/Dyall_DMD/dyall_nrrcapvdz_fi | 2 +- contrib/basissets/Dyall_DMD/dyall_nrrcpvdz_fi | 2 +- .../Dyall_DMD/dyall_relapvdz_fi_sf_fw | 2 +- .../Dyall_DMD/dyall_relapvdz_fi_sf_lc | 2 +- .../Dyall_DMD/dyall_relapvdz_fi_sf_sc | 2 +- contrib/basissets/Dyall_DMD/dyall_reldz_aug | 2 +- .../Dyall_DMD/dyall_relpcapvdz_fi_sf_fw | 2 +- .../Dyall_DMD/dyall_relpcapvdz_fi_sf_lc | 2 +- .../Dyall_DMD/dyall_relpcapvdz_fi_sf_sc | 2 +- .../Dyall_DMD/dyall_relpcpvdz_fi_sf_fw | 2 +- .../Dyall_DMD/dyall_relpcpvdz_fi_sf_lc | 2 +- .../Dyall_DMD/dyall_relpcpvdz_fi_sf_sc | 2 +- .../Dyall_DMD/dyall_relpvdz_fi_sf_fw | 2 +- .../Dyall_DMD/dyall_relpvdz_fi_sf_lc | 2 +- .../Dyall_DMD/dyall_relpvdz_fi_sf_sc | 2 +- .../Dyall_DMD/dyall_relrcapvdz_fi_sf_fw | 2 +- .../Dyall_DMD/dyall_relrcapvdz_fi_sf_lc | 2 +- .../Dyall_DMD/dyall_relrcapvdz_fi_sf_sc | 2 +- .../Dyall_DMD/dyall_relrcpvdz_fi_sf_fw | 2 +- .../Dyall_DMD/dyall_relrcpvdz_fi_sf_lc | 2 +- .../Dyall_DMD/dyall_relrcpvdz_fi_sf_sc | 2 +- contrib/da_rec_size.f | 2 +- contrib/dntmc/averagehist_5.F | 2 +- contrib/dntmc/data_analysis5.F | 2 +- contrib/dntmc/readme | 2 +- contrib/dntmc/refinedistribution_5.F | 2 +- contrib/findconstfh.pl | 2 +- contrib/getmem.nwchem | 2 +- contrib/hessian/makerestart.f | 2 +- contrib/javasupport/GNUmakefile | 2 +- contrib/javasupport/INSTALL | 2 +- contrib/javasupport/NWChem.java | 2 +- contrib/javasupport/notsent.java | 2 +- contrib/javasupport/report_nwchem | 2 +- contrib/javasupport/submitted.java | 2 +- contrib/javasupport/waiting.java | 2 +- contrib/javasupport/whichjava.java | 2 +- contrib/mov2asc/Makefile | 2 +- contrib/mov2asc/README | 2 +- contrib/mov2asc/asc2mov.F | 2 +- contrib/mov2asc/mov2asc.F | 2 +- contrib/nqe/nqenw | 2 +- contrib/pbs/pbsnw | 2 +- contrib/python/Gnuplot.py | 2 +- contrib/rasmolmovie/freq.gifs | 2 +- contrib/seetex/GNUmakefile | 2 +- contrib/seetex/sample.F | 2 +- contrib/seetex/seetex.c | 2 +- contrib/seetex/seetex.h | 2 +- contrib/socrates/GNUmakefile | 2 +- contrib/socrates/socrates_driver.F | 2 +- contrib/socrates/socrates_input.F | 2 +- contrib/socrates/socrates_scf_ga.F | 2 +- contrib/svn_expand_Id | 6 +++ contrib/uncontract | 2 +- contrib/update_look | 2 +- doc/distribute/distribute.tex | 2 +- doc/prog/codingsty.tex | 2 +- doc/prog/html.sty | 2 +- doc/prog/int_api_spec.tex | 2 +- doc/prog/integral_api.tex | 2 +- doc/prog/prog.tex | 2 +- doc/prog/progpdf.tex | 2 +- doc/prog/top.tex | 2 +- doc/update_www | 2 +- doc/user/GNUmakefile | 2 +- doc/user/ack.tex | 2 +- doc/user/analysis.tex | 2 +- doc/user/basis.tex | 2 +- doc/user/ccsd.tex | 2 +- doc/user/cosmo.tex | 4 +- doc/user/dft.tex | 2 +- doc/user/disclaimer.tex | 2 +- doc/user/dntmc.tex | 2 +- doc/user/dplot.tex | 2 +- doc/user/driver.tex | 2 +- doc/user/ecp.tex | 2 +- doc/user/esp.tex | 2 +- doc/user/etrans.tex | 2 +- doc/user/execution.tex | 2 +- doc/user/fileformats.tex | 2 +- doc/user/fourindex.tex | 2 +- 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doc/user/userpdf.tex | 2 +- doc/user/vib.tex | 2 +- doc/user/vscf.tex | 2 +- doc/write_frames.pl | 2 +- examples/rimp2/README | 2 +- src/GNUmakefile | 2 +- src/analyz/GNUmakefile | 2 +- src/analyz/ana_angle.F | 2 +- src/analyz/ana_atrad.F | 2 +- src/analyz/ana_bond.F | 2 +- src/analyz/ana_common.fh | 2 +- src/analyz/ana_covar.F | 2 +- src/analyz/ana_data.F | 2 +- src/analyz/ana_define.F | 2 +- src/analyz/ana_diel.F | 2 +- src/analyz/ana_finish.F | 2 +- src/analyz/ana_groups.F | 4 +- src/analyz/ana_inirms.F | 2 +- src/analyz/ana_init.F | 2 +- src/analyz/ana_initx.F | 2 +- src/analyz/ana_input.F | 2 +- src/analyz/ana_params.fh | 2 +- src/analyz/ana_pltgrd.F | 2 +- src/analyz/ana_rama.F | 2 +- src/analyz/ana_rdf.F | 2 +- src/analyz/ana_rdfram.F | 2 +- src/analyz/ana_rdhdr.F | 2 +- src/analyz/ana_rdref.F | 4 +- src/analyz/ana_report.F | 2 +- src/analyz/ana_rmsdev.F | 2 +- src/analyz/ana_rtdbin.F | 2 +- src/analyz/ana_select.F | 2 +- src/analyz/ana_sizref.F | 2 +- src/analyz/ana_super.F | 2 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+- src/peigs/src/f77/damax.f | 2 +- src/peigs/src/f77/dcmpgamma.f | 2 +- src/peigs/src/f77/dgetavec.F | 2 +- src/peigs/src/f77/dgetavec.f.old | 2 +- src/peigs/src/f77/dgetavec2.f | 2 +- src/peigs/src/f77/dgetavec3.f | 2 +- src/peigs/src/f77/dgetavec4.F | 2 +- src/peigs/src/f77/dlaebz2.F | 2 +- src/peigs/src/f77/dqdbisec.f | 2 +- src/peigs/src/f77/dspevx2.F | 2 +- src/peigs/src/f77/dspgv2.f | 2 +- src/peigs/src/f77/dstebz3.F | 2 +- src/peigs/src/f77/heapsort.f | 2 +- src/peigs/src/f77/menode.f | 2 +- src/peigs/src/f77/neblw2.F | 2 +- src/peigs/src/f77/pairup.f | 2 +- src/peigs/src/f77/perl.script | 2 +- src/peigs/src/f77/samax.f | 2 +- src/peigs/src/f77/sheapsort.f | 2 +- src/peigs/src/f77/slaebz.F | 2 +- src/peigs/src/f77/slaebz2.F | 2 +- src/peigs/src/f77/sneblw2.F | 2 +- src/peigs/src/f77/sstebz3.F | 2 +- src/peigs/src/f77/types.f | 2 +- src/peigs/src/f77/types1.f | 2 +- src/peigs/src/f77/xerbl2.f | 2 +- src/peigs/src/f77/xstop.f | 2 +- src/perfm/GNUmakefile | 2 +- src/perfm/perfm.fh | 2 +- src/perfm/perfm_end.F | 2 +- src/perfm/perfm_flop.F | 2 +- src/perfm/perfm_start.F | 2 +- src/pstat/GNUmakefile | 2 +- src/pstat/pstat.fh | 2 +- src/pstat/pstatP.fh | 2 +- src/pstat/pstat_alloc.F | 2 +- src/pstat/pstat_consts.fh | 2 +- src/pstat/pstat_free.F | 2 +- src/pstat/pstat_init.F | 2 +- src/pstat/pstat_off.F | 2 +- src/pstat/pstat_on.F | 2 +- src/pstat/pstat_pr_all.F | 2 +- src/pstat/pstat_pr_det.F | 2 +- src/pstat/pstat_pr_han.F | 2 +- src/pstat/pstat_term.F | 2 +- src/qhop/GNUmakefile | 2 +- src/qhop/qhop_asite.F | 4 +- src/qhop/qhop_common.fh | 2 +- src/qhop/qhop_dsite.F | 4 +- src/qhop/qhop_final.F | 2 +- src/qhop/qhop_init.F | 4 +- src/qhop/qhop_newpc.F | 2 +- src/qhop/qhop_prob.F | 2 +- src/qhop/qhop_setup.F | 4 +- src/qhop/qhop_setup_good.F | 2 +- src/qhop/qhop_setup_tj.F | 2 +- src/qmd/GNUmakefile | 2 +- src/qmd/qmd_common.fh | 2 +- src/qmd/qmd_main.F | 2 +- src/qmd/qmd_start.F | 2 +- src/qmmm/GNUmakefile | 2 +- src/qmmm/mm_interface.F | 2 +- src/qmmm/mm_utils.fh | 2 +- src/qmmm/qmmm.F | 2 +- src/qmmm/qmmm.fh | 2 +- src/qmmm/qmmm_bq.F | 2 +- src/qmmm/qmmm_bq_data.fh | 2 +- src/qmmm/qmmm_cons.F | 2 +- src/qmmm/qmmm_cons_data.fh | 2 +- src/qmmm/qmmm_data.fh | 2 +- src/qmmm/qmmm_esp.F | 4 +- src/qmmm/qmmm_geom.F | 2 +- src/qmmm/qmmm_geom_data.fh | 2 +- src/qmmm/qmmm_lbfgsb.F | 2 +- src/qmmm/qmmm_link.F | 2 +- src/qmmm/qmmm_link_data.fh | 2 +- src/qmmm/qmmm_main.F | 2 +- src/qmmm/qmmm_output.F | 2 +- src/qmmm/qmmm_params.fh | 2 +- src/qmmm/qmmm_pes.F | 4 +- src/qmmm/qmmm_property.F | 2 +- src/qmmm/qmmm_utils.F | 2 +- src/qmmm/task_qmmm_abc.F | 2 +- src/qmmm/task_qmmm_dynamics.F | 6 +-- src/qmmm/task_qmmm_energy.F | 6 +-- src/qmmm/task_qmmm_fep.F | 2 +- src/qmmm/task_qmmm_gradient.F | 2 +- src/qmmm/task_qmmm_optimize.F | 14 +++--- src/rtdb/GNUmakefile | 2 +- src/rtdb/cntx.F | 2 +- src/rtdb/context.c | 2 +- src/rtdb/context.fh | 2 +- src/rtdb/context.h | 2 +- src/rtdb/context_f2c.c | 2 +- src/rtdb/davetest.F | 2 +- src/rtdb/db/GNUmakefile | 2 +- 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+- src/rtdb/rtdbtest.c | 2 +- src/rtdb/test.F | 2 +- src/rtdb/testgr.F | 2 +- src/selci/GNUmakefile | 2 +- src/selci/MakeFile | 2 +- src/selci/anal.F | 2 +- src/selci/axb.f | 2 +- src/selci/axbt.f | 2 +- src/selci/bserch.F | 2 +- src/selci/cbits.fh | 2 +- src/selci/cbuff.fh | 2 +- src/selci/cconf.fh | 2 +- src/selci/ceij.fh | 2 +- src/selci/ci.F | 2 +- src/selci/ciinfo.fh | 2 +- src/selci/cmp2.fh | 2 +- src/selci/conf.F | 2 +- src/selci/couple.c | 2 +- src/selci/cputm.c | 2 +- src/selci/cselcifiles.fh | 2 +- src/selci/davids.F | 2 +- src/selci/e0mp2.F | 2 +- src/selci/eij.F | 2 +- src/selci/eijeji.F | 2 +- src/selci/eijil.F | 2 +- src/selci/eijkj.F | 2 +- src/selci/eijkl.F | 2 +- src/selci/eirerj.F | 2 +- src/selci/fcidim.F | 2 +- src/selci/getij.F | 2 +- src/selci/gettim.f | 2 +- src/selci/gtijkl.F | 2 +- src/selci/idmin.f | 2 +- src/selci/implicit.fh | 2 +- src/selci/inicij.F | 2 +- src/selci/initci.F | 2 +- src/selci/input.F | 2 +- src/selci/iodiff.F | 2 +- src/selci/iprtri.F | 2 +- 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2 +- src/selci/rdhint.F | 2 +- src/selci/rdhwmt.f | 2 +- src/selci/readh.F | 2 +- src/selci/restin.F | 2 +- src/selci/restk.F | 2 +- src/selci/selci.F | 2 +- src/selci/selci_check.f | 2 +- src/selci/selci_icopy.f | 2 +- src/selci/selci_output.f | 2 +- src/selci/selci_renorm.f | 2 +- src/selci/selci_select.F | 2 +- src/selci/selci_sread.f | 2 +- src/selci/selci_swrite.f | 2 +- src/selci/selci_yacobi.f | 2 +- src/selci/sigma.F | 2 +- src/selci/slect.F | 2 +- src/selci/spindim.c | 2 +- src/selci/stfunc.fh | 2 +- src/selci/stool.F | 2 +- src/selci/tester.F | 2 +- src/selci/tqlrat.f | 2 +- src/selci/tred1.f | 2 +- src/selci/upkcon.F | 2 +- src/selci/vadd.f | 2 +- src/selci/work.fh | 2 +- src/selci/workc.fh | 2 +- src/selci/wrtcon.f | 2 +- src/selci/wtconf.f | 2 +- src/selci/wthcon.f | 2 +- src/space/GNUmakefile | 2 +- src/space/sp_common.fh | 2 +- src/space/sp_init.F | 2 +- src/space/sp_main.F | 2 +- src/stepper/GNUmakefile | 2 +- src/stepper/TREE | 2 +- src/stepper/chow.fh | 2 +- src/stepper/cstprfiles.fh | 2 +- src/stepper/debye.tex | 2 +- src/stepper/distang.F | 2 +- src/stepper/graveyard | 4 +- src/stepper/read_genr.F | 2 +- src/stepper/stepper_inp.F | 2 +- src/stepper/stpr_call_tree.doc | 2 +- src/stepper/stpr_cheker.F | 2 +- src/stepper/stpr_chkhess.F | 2 +- src/stepper/stpr_clean.fh | 2 +- src/stepper/stpr_clnstp.F | 2 +- src/stepper/stpr_cneed.f | 2 +- src/stepper/stpr_cross.f | 2 +- src/stepper/stpr_datestp.f | 2 +- src/stepper/stpr_driver.F | 2 +- src/stepper/stpr_face.F | 2 +- src/stepper/stpr_filenames.F | 2 +- src/stepper/stpr_fndmde.F | 2 +- src/stepper/stpr_formup.F | 2 +- src/stepper/stpr_gen_aux.F | 2 +- src/stepper/stpr_gh_at.F | 2 +- src/stepper/stpr_gmass.f | 2 +- src/stepper/stpr_hesupd.F | 2 +- src/stepper/stpr_hmass.f | 2 +- src/stepper/stpr_inP.fh | 2 +- src/stepper/stpr_inihes.F | 2 +- src/stepper/stpr_locate.f | 2 +- src/stepper/stpr_matout.f | 2 +- src/stepper/stpr_mgeom.f | 2 +- src/stepper/stpr_mkstep.F | 2 +- src/stepper/stpr_mktri.f | 2 +- src/stepper/stpr_output.F | 2 +- src/stepper/stpr_partit.F | 2 +- src/stepper/stpr_place.F | 2 +- src/stepper/stpr_pmat.f | 2 +- src/stepper/stpr_prntpd.f | 2 +- src/stepper/stpr_projec.f | 2 +- src/stepper/stpr_putbck.f | 2 +- src/stepper/stpr_readsq.F | 2 +- src/stepper/stpr_save.F | 2 +- src/stepper/stpr_setmass.f | 2 +- src/stepper/stpr_stepcor.F | 2 +- src/stepper/stpr_stepper.f | 2 +- src/stepper/stpr_sumstc.F | 2 +- src/stepper/stpr_tprntd.f | 2 +- src/stepper/stpr_uprcase.f | 2 +- src/stepper/stpr_walk.F | 2 +- src/stepper/stpr_wlkchk.F | 2 +- src/stepper/stpr_wrtsq.F | 2 +- src/stubs_win32.F | 48 +++++++++---------- src/symmetry/ChangeLog | 2 +- src/symmetry/GNUmakefile | 2 +- src/symmetry/cross_prod.F | 2 +- src/symmetry/dctr.f | 2 +- src/symmetry/deter3.F | 2 +- src/symmetry/dosymops.F | 2 +- src/symmetry/gensym.f | 2 +- src/symmetry/graveyard.F | 2 +- src/symmetry/ludcmp.F | 2 +- src/symmetry/mprint.f | 2 +- src/symmetry/opprint.f | 2 +- src/symmetry/spgen.F | 2 +- src/symmetry/sym.fh | 2 +- src/symmetry/sym_abelian.F | 2 +- src/symmetry/sym_ap_cart.F | 2 +- src/symmetry/sym_apply_op.F | 2 +- src/symmetry/sym_bas_op.F | 2 +- src/symmetry/sym_bs_irrep.F | 2 +- src/symmetry/sym_cent_map.F | 2 +- src/symmetry/sym_char_tab.F | 2 +- src/symmetry/sym_g_sym.F | 6 +-- src/symmetry/sym_geom_prj.F | 2 +- src/symmetry/sym_get_cart.F | 2 +- src/symmetry/sym_grp_name.F | 2 +- src/symmetry/sym_inv_op.F | 2 +- src/symmetry/sym_irrepname.F | 2 +- src/symmetry/sym_map.F | 2 +- src/symmetry/sym_mo_adapt.F | 2 +- src/symmetry/sym_mo_ap_op.F | 2 +- src/symmetry/sym_num_ops.F | 2 +- src/symmetry/sym_nwc.F | 2 +- src/symmetry/sym_op_clsfy.F | 2 +- src/symmetry/sym_op_cname.F | 2 +- src/symmetry/sym_op_mtab.F | 2 +- src/symmetry/sym_op_type.F | 2 +- src/symmetry/sym_ops_get.F | 2 +- src/symmetry/sym_pr_all.F | 2 +- src/symmetry/sym_pr_ctab.F | 2 +- src/symmetry/sym_pr_ops.F | 2 +- src/symmetry/sym_put_geom.F | 2 +- src/symmetry/sym_sh_pair.F | 4 +- src/symmetry/sym_sym.F | 2 +- src/symmetry/sym_tr_bs_op.F | 2 +- src/symmetry/sym_vec_sym.F | 2 +- src/symmetry/wrcell.F | 2 +- src/task/GNUmakefile | 2 +- src/task/task.F | 2 +- src/task/task_dntmc.F | 2 +- src/task/task_dynamics.F | 2 +- src/task/task_energy.F | 2 +- src/task/task_et.F | 2 +- src/task/task_freq.F | 2 +- src/task/task_gradient.F | 4 +- src/task/task_hessian.F | 2 +- src/task/task_input.F | 2 +- src/task/task_num_grad.F | 2 +- src/task/task_optimize.F | 6 +-- src/task/task_rfcf.F | 2 +- src/task/task_save_state.F | 2 +- src/task/task_thermo.F | 2 +- src/task/task_vscf.F | 2 +- src/transport/GNUmakefile | 2 +- src/transport/transp_input.F | 2 +- src/transport/transport.fh | 2 +- src/vib/GNUmakefile | 2 +- src/vib/vib_bcalc.F | 2 +- src/vib/vib_bdiha5.F | 2 +- src/vib/vib_bend.F | 2 +- src/vib/vib_bstr.F | 2 +- src/vib/vib_callg.F | 2 +- src/vib/vib_cebdab.F | 2 +- src/vib/vib_chkhess.F | 2 +- src/vib/vib_clean.F | 2 +- src/vib/vib_cross.F | 2 +- src/vib/vib_dsquar.F | 2 +- src/vib/vib_dtrngl.F | 2 +- src/vib/vib_eckart.F | 2 +- src/vib/vib_gtors.F | 2 +- src/vib/vib_hmass.F | 2 +- src/vib/vib_input.F | 2 +- src/vib/vib_intense.F | 2 +- src/vib/vib_istep.F | 2 +- src/vib/vib_libe.F | 2 +- src/vib/vib_nmass.F | 2 +- src/vib/vib_prdata.F | 2 +- src/vib/vib_prntpd.F | 2 +- src/vib/vib_rdinp.F | 2 +- src/vib/vib_setup.F | 2 +- src/vib/vib_thermo.F | 2 +- src/vib/vib_tors.F | 2 +- src/vib/vib_transp.F | 2 +- src/vib/vib_vib.F | 2 +- src/vib/vib_wmatrix.F | 2 +- src/vib/vib_wrtfreq.F | 2 +- src/vib/vib_zmatin.F | 2 +- src/vscf/GNUmakefile | 2 +- src/vscf/vscf.F | 2 +- src/vscf/vscf_input.F | 2 +- web/citation.html | 2 +- web/disclaimer.html | 2 +- web/download.html | 2 +- web/nwchem_main.html | 2 +- web/return_users.html | 2 +- web/support/gridbq.patch | 20 ++++---- web/support/patches/4.6/geom_hnd.patch | 4 +- web/support/patches/4.6/grid_signf.patch | 4 +- web/support/patches/4.6/xc_pw91lda.patch | 4 +- 1774 files changed, 1875 insertions(+), 1869 deletions(-) diff --git a/INSTALL b/INSTALL index 042f2f2055..9540234b1f 100644 --- a/INSTALL +++ b/INSTALL @@ -1,5 +1,5 @@ ==================================================== -$Id: INSTALL,v 1.88 2009-01-20 00:39:40 d3p307 Exp $ +$Id$ ---------------------------------------------------- GUIDE TO INSTALLING NWChem diff --git a/INSTALL.binbuilds b/INSTALL.binbuilds index 4f80017aaf..69faa4f590 100644 --- a/INSTALL.binbuilds +++ b/INSTALL.binbuilds @@ -1,7 +1,7 @@ Guide to Installing NWChem Binary Builds ==================================================== -$Id: INSTALL.binbuilds,v 1.10 2004-02-12 22:32:33 edo Exp $ +$Id$ ---------------------------------------------------- INSTALLING NWCHEM FOR GENERAL SITE USE: diff --git a/QA/HOW-TO-RUN-TESTS b/QA/HOW-TO-RUN-TESTS index 596ccdaab7..a9deddc071 100644 --- a/QA/HOW-TO-RUN-TESTS +++ b/QA/HOW-TO-RUN-TESTS @@ -1,4 +1,4 @@ - $Id: HOW-TO-RUN-TESTS,v 1.2 2001-01-29 19:51:48 windus Exp $ + $Id$ The Quality Assurance (QA) tests are designed to test most of the functionality of NWChem. As such, it is useful to run at least some of the tests when first installing NWChem at a site. It is diff --git a/QA/domknwchemrc b/QA/domknwchemrc index e822b04ece..2d32671c87 100755 --- a/QA/domknwchemrc +++ b/QA/domknwchemrc @@ -1,6 +1,6 @@ #!/bin/csh -f # -# $Id: domdtests,v 1.63 2008-12-07 19:26:52 d3j191 Exp $ +# $Id$ # #--- backup the nwchemrc file # diff --git a/QA/doqmmmtests.mpi b/QA/doqmmmtests.mpi index c5e5c9dded..c379dff37e 100755 --- a/QA/doqmmmtests.mpi +++ b/QA/doqmmmtests.mpi @@ -1,6 +1,6 @@ #!/bin/csh -f # -# $Id: doqmmmtests.mpi,v 1.2 2005-12-16 02:42:22 marat Exp $ +# $Id$ # #--- small tests ./runtests.mpi.unix procs $1 qmmm_grad0 diff --git a/QA/doqmtests b/QA/doqmtests index 38a5811b65..120d49f78d 100755 --- a/QA/doqmtests +++ b/QA/doqmtests @@ -1,6 +1,6 @@ #!/bin/csh -f # -# $Id: doqmtests,v 1.63 2008-12-07 19:26:52 jhammond Exp $ +# $Id$ # #--- small tests set np = 1 diff --git a/QA/doqmtests.mpi b/QA/doqmtests.mpi index 76b3e55837..dae9966ba4 100755 --- a/QA/doqmtests.mpi +++ b/QA/doqmtests.mpi @@ -1,6 +1,6 @@ #!/bin/csh -f # -# $Id: doqmtests.mpi,v 1.21 2007-10-25 16:28:32 d3p307 Exp $ +# $Id$ # set np = 1 if ($1 !="") then diff --git a/QA/doqmtests.tcg5 b/QA/doqmtests.tcg5 index eb8190d0ef..9f9a897bd3 100755 --- a/QA/doqmtests.tcg5 +++ b/QA/doqmtests.tcg5 @@ -1,6 +1,6 @@ #!/bin/csh -f # -# $Id: doqmtests.tcg5,v 1.7 2007-10-22 18:39:34 jhammond Exp $ +# $Id$ # #--- small tests set np = 1 diff --git a/QA/dormnwchemrc b/QA/dormnwchemrc index 955a8204ac..312caa3943 100755 --- a/QA/dormnwchemrc +++ b/QA/dormnwchemrc @@ -1,6 +1,6 @@ #!/bin/csh -f # -# $Id: domdtests,v 1.63 2008-12-07 19:26:52 d3j191 Exp $ +# $Id$ # #--- restore original nwchemrc file # diff --git a/QA/dotcetests b/QA/dotcetests index 9205560dda..6edf8973a0 100755 --- a/QA/dotcetests +++ b/QA/dotcetests @@ -1,6 +1,6 @@ #!/bin/csh -f # -# $Id: dotcetests,v 1.1 2008-01-16 20:22:05 jhammond Exp $ +# $Id$ # set np = 1 if ($1 !="") then diff --git a/QA/nqetests b/QA/nqetests index ce129afc3c..a80394a5d4 100755 --- a/QA/nqetests +++ b/QA/nqetests @@ -1,6 +1,6 @@ #!/bin/csh # -# $Id: nqetests,v 1.6 2006-02-03 19:50:22 bert Exp $ +# $Id$ # #--- small tests cd ~/nwchem/QA/tests/auh2o diff --git a/QA/nwparse.pl b/QA/nwparse.pl index 2b935726be..d6106d1af3 100644 --- a/QA/nwparse.pl +++ b/QA/nwparse.pl @@ -1,5 +1,5 @@ # -# $Id: nwparse.pl,v 1.18 2003-03-29 02:51:28 edo Exp $ +# $Id$ # # # perl script to parse nwchem output files diff --git a/QA/runtest.batch b/QA/runtest.batch index 1afcab9ec4..39b976224d 100755 --- a/QA/runtest.batch +++ b/QA/runtest.batch @@ -1,6 +1,6 @@ #!/bin/csh # -# $Id: runtest.batch,v 1.6 1997-10-13 21:17:40 d3j191 Exp $ +# $Id$ # # Batch system based parallel and sequential execution of test jobs # diff --git a/QA/tests/c60_ecp/c60_ecp.nw b/QA/tests/c60_ecp/c60_ecp.nw index aabb896689..42c65d232c 100644 --- a/QA/tests/c60_ecp/c60_ecp.nw +++ b/QA/tests/c60_ecp/c60_ecp.nw @@ -1,4 +1,4 @@ -# $Id: c60_ecp.nw,v 1.1 2003-04-11 01:19:11 edo Exp $ +# $Id$ echo title "c60 with ECPs" diff --git a/QA/tests/c60_ecp/c60_ecp.out b/QA/tests/c60_ecp/c60_ecp.out index 3ea60ac75d..15ed8e66ac 100644 --- a/QA/tests/c60_ecp/c60_ecp.out +++ b/QA/tests/c60_ecp/c60_ecp.out @@ -3,7 +3,7 @@ ============================== echo of input deck ============================== -# $Id: c60_ecp.nw,v 1.1 2003-04-11 01:19:11 edo Exp $ +# $Id$ echo title "c60 with ECPs" diff --git a/QA/tests/cytosine_ccsd/cytosine_ccsd.nw b/QA/tests/cytosine_ccsd/cytosine_ccsd.nw index 2224b297ba..113c5a9945 100644 --- a/QA/tests/cytosine_ccsd/cytosine_ccsd.nw +++ b/QA/tests/cytosine_ccsd/cytosine_ccsd.nw @@ -1,4 +1,4 @@ -# $Id: cytosine_ccsd.nw,v 1.3 2004-04-24 02:09:34 edo Exp $ +# $Id$ start cytosine memory 1024 mb diff --git a/QA/tests/dft_cr2/dft_cr2.nw b/QA/tests/dft_cr2/dft_cr2.nw index 67c26aab13..a753725551 100644 --- a/QA/tests/dft_cr2/dft_cr2.nw +++ b/QA/tests/dft_cr2/dft_cr2.nw @@ -1,4 +1,4 @@ -# $Id: dft_cr2.nw,v 1.1 2006-01-07 01:15:49 edo Exp $ +# $Id$ echo diff --git a/QA/tests/dft_cr2/dft_cr2.out b/QA/tests/dft_cr2/dft_cr2.out index 631e553117..2cdc07dbe7 100644 --- a/QA/tests/dft_cr2/dft_cr2.out +++ b/QA/tests/dft_cr2/dft_cr2.out @@ -3,7 +3,7 @@ ============================== echo of input deck ============================== -# $Id: dft_cr2.nw,v 1.1 2006-01-07 01:15:49 edo Exp $ +# $Id$ echo diff --git a/QA/tests/h2o_selci/h2o_selci.nw b/QA/tests/h2o_selci/h2o_selci.nw index 5e660765a2..d9066890a8 100644 --- a/QA/tests/h2o_selci/h2o_selci.nw +++ b/QA/tests/h2o_selci/h2o_selci.nw @@ -1,4 +1,4 @@ -# $Id: h2o_selci.nw,v 1.4 2003-04-16 22:49:19 edo Exp $ +# $Id$ echo # Selected CI with perturbation correction (1 frozen core) geometry diff --git a/QA/tests/h2o_selci/h2o_selci.out b/QA/tests/h2o_selci/h2o_selci.out index 6bef34e4cf..1cdfdf8bc4 100644 --- a/QA/tests/h2o_selci/h2o_selci.out +++ b/QA/tests/h2o_selci/h2o_selci.out @@ -10,7 +10,7 @@ ============================== echo of input deck ============================== -# $Id: h2o_selci.out,v 1.2 2003-04-16 20:23:20 edo Exp $ +# $Id$ echo # Selected CI with perturbation correction (1 frozen core) geometry diff --git a/QA/tests/h3tr1/README b/QA/tests/h3tr1/README index 5dd8430267..ef36cb643a 100644 --- a/QA/tests/h3tr1/README +++ b/QA/tests/h3tr1/README @@ -1,4 +1,4 @@ -$Id: README,v 1.1 2002-02-14 00:35:35 windus Exp $ +$Id$ This tests the DIRDYVTST capability. It is not part of the doqmtests because nwparse.pl does not parse anything from the output file. When the proper testing mechanisms are in place, this will be part of the automatic test suite. diff --git a/QA/tests/hess_ch4/hess_ch4.out b/QA/tests/hess_ch4/hess_ch4.out index 57c6fec1a7..a525870b7f 100644 --- a/QA/tests/hess_ch4/hess_ch4.out +++ b/QA/tests/hess_ch4/hess_ch4.out @@ -8,7 +8,7 @@ echo start ch4 # SCF geometry optimization and frequencies for CH4 -# $Id: hess_ch4.out,v 1.1 2003-04-07 21:00:32 edo Exp $ +# $Id$ geometry units au c 0 0 0 diff --git a/QA/tests/oh3tr3/README b/QA/tests/oh3tr3/README index 86e3557a99..ef36cb643a 100644 --- a/QA/tests/oh3tr3/README +++ b/QA/tests/oh3tr3/README @@ -1,4 +1,4 @@ -$Id: README,v 1.1 2002-02-14 00:35:47 windus Exp $ +$Id$ This tests the DIRDYVTST capability. It is not part of the doqmtests because nwparse.pl does not parse anything from the output file. When the proper testing mechanisms are in place, this will be part of the automatic test suite. diff --git a/QA/tests/sad_ch3hf/sad_ch3hf.nw b/QA/tests/sad_ch3hf/sad_ch3hf.nw index 29a26456a8..e0e2de108b 100644 --- a/QA/tests/sad_ch3hf/sad_ch3hf.nw +++ b/QA/tests/sad_ch3hf/sad_ch3hf.nw @@ -1,7 +1,7 @@ echo start ch3hf -# $Id: sad_ch3hf.nw,v 1.1 2003-04-07 21:20:51 edo Exp $ +# $Id$ title "Find the saddle point for CH3 + HF <-> CH4 + F" diff --git a/QA/tests/sad_ch3hf/sad_ch3hf.out b/QA/tests/sad_ch3hf/sad_ch3hf.out index c9ae73b123..21fee83b90 100644 --- a/QA/tests/sad_ch3hf/sad_ch3hf.out +++ b/QA/tests/sad_ch3hf/sad_ch3hf.out @@ -6,7 +6,7 @@ echo start ch3hf -# $Id: sad_ch3hf.nw,v 1.1 2003-04-07 21:20:51 edo Exp $ +# $Id$ title "Find the saddle point for CH3 + HF <-> CH4 + F" diff --git a/contrib/Fixinclude b/contrib/Fixinclude index 4545b0ef76..69e6e1320d 100755 --- a/contrib/Fixinclude +++ b/contrib/Fixinclude @@ -1,6 +1,6 @@ #!/bin/csh # -# $Id: Fixinclude,v 1.4 1996-07-19 18:53:23 d3g681 Exp $ +# $Id$ # # ! RJH ... This utility should no longer be necessary (10/95) # diff --git a/contrib/aix-renamer b/contrib/aix-renamer index 4a27552f16..806aed74f0 100755 --- a/contrib/aix-renamer +++ b/contrib/aix-renamer @@ -2,7 +2,7 @@ # aix-renamer (for NWChem) # Usage: make link |& aix-renamer > aix-ld-rename-switches # -# $Id: aix-renamer,v 1.1 1996-05-26 20:51:14 gg502 Exp $ +# $Id$ # # This script extract the undefined symbol error messages from an # attempt to link a mixed Fortran/C program compiled with -qextname and diff --git a/contrib/basissets/Dyall/dyall_nradz b/contrib/basissets/Dyall/dyall_nradz index fa86a5b7c4..949d12ad44 100644 --- a/contrib/basissets/Dyall/dyall_nradz +++ b/contrib/basissets/Dyall/dyall_nradz @@ -1,4 +1,4 @@ -# $Id: dyall_nradz,v 1.1 2003-04-01 01:08:26 mg201 Exp $ +# $Id$ basis "Ga_dyall_nradz" SPHERICAL Ga s 2.2584837E-02 1.00000000000E+00 diff --git a/contrib/basissets/Dyall/dyall_nratz b/contrib/basissets/Dyall/dyall_nratz index d139552dd9..ef365a2eff 100644 --- a/contrib/basissets/Dyall/dyall_nratz +++ b/contrib/basissets/Dyall/dyall_nratz @@ -1,4 +1,4 @@ -# $Id: dyall_nratz,v 1.1 2003-04-01 01:08:26 mg201 Exp $ +# $Id$ basis "Ga_dyall_nratz" SPHERICAL Ga s 1.7271569E-02 1.00000000000E+00 diff --git a/contrib/basissets/Dyall/dyall_nrcdz b/contrib/basissets/Dyall/dyall_nrcdz index 908ff46ba5..72b9c63ad1 100644 --- a/contrib/basissets/Dyall/dyall_nrcdz +++ b/contrib/basissets/Dyall/dyall_nrcdz @@ -1,4 +1,4 @@ -# $Id: dyall_nrcdz,v 1.1 2003-04-01 01:08:26 mg201 Exp $ +# $Id$ basis "Ga_dyall_nrcdz" SPHERICAL Ga s 1.3032191E+00 1.00000000000E+00 diff --git a/contrib/basissets/Dyall/dyall_nrcpdz b/contrib/basissets/Dyall/dyall_nrcpdz index 422368f49d..770adfbdf2 100644 --- a/contrib/basissets/Dyall/dyall_nrcpdz +++ b/contrib/basissets/Dyall/dyall_nrcpdz @@ -1,4 +1,4 @@ -# $Id: dyall_nrcpdz,v 1.1 2003-04-01 01:08:27 mg201 Exp $ +# $Id$ basis "Ga_dyall_nrcpdz" SPHERICAL Ga f 7.4554914E-01 1.00000000000E+00 diff --git a/contrib/basissets/Dyall/dyall_nrctz b/contrib/basissets/Dyall/dyall_nrctz index fce3ca2fc0..24db9cd840 100644 --- a/contrib/basissets/Dyall/dyall_nrctz +++ b/contrib/basissets/Dyall/dyall_nrctz @@ -1,4 +1,4 @@ -# $Id: dyall_nrctz,v 1.1 2003-04-01 01:08:27 mg201 Exp $ +# $Id$ basis "Ga_dyall_nrctz" SPHERICAL Ga s 4.4495278E+00 1.00000000000E+00 diff --git a/contrib/basissets/Dyall/dyall_nrpvdzfi b/contrib/basissets/Dyall/dyall_nrpvdzfi index 56114f4d1c..fe96d12093 100644 --- a/contrib/basissets/Dyall/dyall_nrpvdzfi +++ b/contrib/basissets/Dyall/dyall_nrpvdzfi @@ -1,4 +1,4 @@ -# $Id: dyall_nrpvdzfi,v 1.1 2003-04-01 01:08:27 mg201 Exp $ +# $Id$ basis "Ga_dyall_nrpvdz(fi)" SPHERICAL Ga s 8.3916211E+05 1.03495115075E-04 -3.20139719090E-05 1.22362508284E-05 -2.84907859364E-06 diff --git a/contrib/basissets/Dyall/dyall_nrpvtzfi b/contrib/basissets/Dyall/dyall_nrpvtzfi index d550629241..f87498be2e 100644 --- a/contrib/basissets/Dyall/dyall_nrpvtzfi +++ b/contrib/basissets/Dyall/dyall_nrpvtzfi @@ -1,4 +1,4 @@ -# $Id: dyall_nrpvtzfi,v 1.1 2003-04-01 01:08:27 mg201 Exp $ +# $Id$ basis "Ga_dyall_nrpvtz(fi)" SPHERICAL Ga s 1.4096772E+07 -2.67078225918E-06 8.27587409142E-07 -3.15570907835E-07 7.33935352813E-08 diff --git a/contrib/basissets/Dyall/dyall_reladzfi_sf_fw b/contrib/basissets/Dyall/dyall_reladzfi_sf_fw index 6d21c4104d..6d8994e284 100644 --- a/contrib/basissets/Dyall/dyall_reladzfi_sf_fw +++ b/contrib/basissets/Dyall/dyall_reladzfi_sf_fw @@ -1,4 +1,4 @@ -# $Id: dyall_reladzfi_sf_fw,v 1.2 2004-02-18 21:58:58 mg201 Exp $ +# $Id$ basis "Ga_dyall_reladz(fi/sf/fw)" SPHERICAL Ga s 2.3477550E-02 1.00000000000E+00 diff --git a/contrib/basissets/Dyall/dyall_reladzfi_sf_lc b/contrib/basissets/Dyall/dyall_reladzfi_sf_lc index 9aa9a17aaa..469217a0a2 100644 --- a/contrib/basissets/Dyall/dyall_reladzfi_sf_lc +++ b/contrib/basissets/Dyall/dyall_reladzfi_sf_lc @@ -1,4 +1,4 @@ -# $Id: dyall_reladzfi_sf_lc,v 1.2 2004-02-18 21:58:58 mg201 Exp $ +# $Id$ basis "Ga_dyall_reladz(fi/sf/lc)" SPHERICAL Ga s 2.3477550E-02 9.99999531172E-01 diff --git a/contrib/basissets/Dyall/dyall_reladzfi_sf_sc b/contrib/basissets/Dyall/dyall_reladzfi_sf_sc index ad836d6757..c42a5307e5 100644 --- a/contrib/basissets/Dyall/dyall_reladzfi_sf_sc +++ b/contrib/basissets/Dyall/dyall_reladzfi_sf_sc @@ -1,4 +1,4 @@ -# $Id: dyall_reladzfi_sf_sc,v 1.2 2004-02-18 21:58:58 mg201 Exp $ +# $Id$ basis "Ga_dyall_reladz(fi/sf/sc)" SPHERICAL Ga s 2.3477550E-02 9.99998593515E-01 diff --git a/contrib/basissets/Dyall/dyall_relaqzfi_sf_fw b/contrib/basissets/Dyall/dyall_relaqzfi_sf_fw index a48ec34a90..d538625be8 100644 --- a/contrib/basissets/Dyall/dyall_relaqzfi_sf_fw +++ b/contrib/basissets/Dyall/dyall_relaqzfi_sf_fw @@ -1,4 +1,4 @@ -# $Id: dyall_relaqzfi_sf_fw,v 1.1 2004-02-18 21:58:58 mg201 Exp $ +# $Id$ basis "Hf_dyall_relaqz(fi/sf/fw)" SPHERICAL Hf f 5.4986052E-02 1.00000000000E+00 diff --git a/contrib/basissets/Dyall/dyall_relaqzfi_sf_lc b/contrib/basissets/Dyall/dyall_relaqzfi_sf_lc index a6f19e832e..dff1195525 100644 --- a/contrib/basissets/Dyall/dyall_relaqzfi_sf_lc +++ b/contrib/basissets/Dyall/dyall_relaqzfi_sf_lc @@ -1,4 +1,4 @@ -# $Id: dyall_relaqzfi_sf_lc,v 1.1 2004-02-18 21:58:58 mg201 Exp $ +# $Id$ basis "Hf_dyall_relaqz(fi/sf/lc)" SPHERICAL Hf f 5.4986052E-02 9.99996705967E-01 diff --git a/contrib/basissets/Dyall/dyall_relaqzfi_sf_sc b/contrib/basissets/Dyall/dyall_relaqzfi_sf_sc index 85b3c53ded..1293592408 100644 --- a/contrib/basissets/Dyall/dyall_relaqzfi_sf_sc +++ b/contrib/basissets/Dyall/dyall_relaqzfi_sf_sc @@ -1,4 +1,4 @@ -# $Id: dyall_relaqzfi_sf_sc,v 1.1 2004-02-18 21:58:58 mg201 Exp $ +# $Id$ basis "Hf_dyall_relaqz(fi/sf/sc)" SPHERICAL Hf f 5.4986052E-02 9.99990117891E-01 diff --git a/contrib/basissets/Dyall/dyall_relatzfi_sf_sc b/contrib/basissets/Dyall/dyall_relatzfi_sf_sc index 95e1bbc819..2f6884cfca 100644 --- a/contrib/basissets/Dyall/dyall_relatzfi_sf_sc +++ b/contrib/basissets/Dyall/dyall_relatzfi_sf_sc @@ -1,4 +1,4 @@ -# $Id: dyall_relatzfi_sf_sc,v 1.2 2004-02-18 21:58:58 mg201 Exp $ +# $Id$ basis "Ga_dyall_relatz(fi/sf/sc)" SPHERICAL Ga s 1.7330197E-02 9.99998961788E-01 diff --git a/contrib/basissets/Dyall/dyall_relcdzfi_sf_fw b/contrib/basissets/Dyall/dyall_relcdzfi_sf_fw index e77e692efb..4ce09deeb4 100644 --- a/contrib/basissets/Dyall/dyall_relcdzfi_sf_fw +++ b/contrib/basissets/Dyall/dyall_relcdzfi_sf_fw @@ -1,4 +1,4 @@ -# $Id: dyall_relcdzfi_sf_fw,v 1.2 2004-02-18 23:33:47 mg201 Exp $ +# $Id$ basis "Ga_dyall_relcdz(fi/sf/fw)" SPHERICAL Ga s 1.3690033E+00 1.00000000000E+00 diff --git a/contrib/basissets/Dyall/dyall_relcdzfi_sf_lc b/contrib/basissets/Dyall/dyall_relcdzfi_sf_lc index ce42a3a1f8..5c47d1b158 100644 --- a/contrib/basissets/Dyall/dyall_relcdzfi_sf_lc +++ b/contrib/basissets/Dyall/dyall_relcdzfi_sf_lc @@ -1,4 +1,4 @@ -# $Id: dyall_relcdzfi_sf_lc,v 1.2 2004-02-18 23:33:48 mg201 Exp $ +# $Id$ basis "Ga_dyall_relcdz(fi/sf/lc)" SPHERICAL Ga s 1.3690033E+00 9.99972666126E-01 diff --git a/contrib/basissets/Dyall/dyall_relcdzfi_sf_sc b/contrib/basissets/Dyall/dyall_relcdzfi_sf_sc index 809dda4eeb..b1a4ca8b66 100644 --- a/contrib/basissets/Dyall/dyall_relcdzfi_sf_sc +++ b/contrib/basissets/Dyall/dyall_relcdzfi_sf_sc @@ -1,4 +1,4 @@ -# $Id: dyall_relcdzfi_sf_sc,v 1.2 2004-02-18 23:33:48 mg201 Exp $ +# $Id$ basis "Ga_dyall_relcdz(fi/sf/sc)" SPHERICAL Ga s 1.3690033E+00 9.99917997631E-01 diff --git a/contrib/basissets/Dyall/dyall_relcpdzfi_sf_fw b/contrib/basissets/Dyall/dyall_relcpdzfi_sf_fw index 5cbed7d1c6..7ced168a58 100644 --- a/contrib/basissets/Dyall/dyall_relcpdzfi_sf_fw +++ b/contrib/basissets/Dyall/dyall_relcpdzfi_sf_fw @@ -1,4 +1,4 @@ -# $Id: dyall_relcpdzfi_sf_fw,v 1.1 2003-04-01 01:08:27 mg201 Exp $ +# $Id$ basis "Ga_dyall_relcpdz(fi/sf/fw)" SPHERICAL Ga f 7.2939434E-01 1.00000000000E+00 diff --git a/contrib/basissets/Dyall/dyall_relcpdzfi_sf_lc b/contrib/basissets/Dyall/dyall_relcpdzfi_sf_lc index 637df90aa2..78e3d526a2 100644 --- a/contrib/basissets/Dyall/dyall_relcpdzfi_sf_lc +++ b/contrib/basissets/Dyall/dyall_relcpdzfi_sf_lc @@ -1,4 +1,4 @@ -# $Id: dyall_relcpdzfi_sf_lc,v 1.1 2003-04-01 01:08:27 mg201 Exp $ +# $Id$ basis "Ga_dyall_relcpdz(fi/sf/lc)" SPHERICAL Ga f 7.2939434E-01 9.99956314101E-01 diff --git a/contrib/basissets/Dyall/dyall_relcpdzfi_sf_sc b/contrib/basissets/Dyall/dyall_relcpdzfi_sf_sc index a5c8501014..a35fea12e6 100644 --- a/contrib/basissets/Dyall/dyall_relcpdzfi_sf_sc +++ b/contrib/basissets/Dyall/dyall_relcpdzfi_sf_sc @@ -1,4 +1,4 @@ -# $Id: dyall_relcpdzfi_sf_sc,v 1.1 2003-04-01 01:08:27 mg201 Exp $ +# $Id$ basis "Ga_dyall_relcpdz(fi/sf/sc)" SPHERICAL Ga f 7.2939434E-01 9.99868940395E-01 diff --git a/contrib/basissets/Dyall/dyall_relcqzfi_sf_fw b/contrib/basissets/Dyall/dyall_relcqzfi_sf_fw index 6d485a1b90..e09a56f8f4 100644 --- a/contrib/basissets/Dyall/dyall_relcqzfi_sf_fw +++ b/contrib/basissets/Dyall/dyall_relcqzfi_sf_fw @@ -1,4 +1,4 @@ -# $Id: dyall_relcqzfi_sf_fw,v 1.1 2004-02-18 23:33:48 mg201 Exp $ +# $Id$ basis "Hf_dyall_relcqz(fi/sf/fw)" SPHERICAL Hf s 1.7889818E+00 1.00000000000E+00 diff --git a/contrib/basissets/Dyall/dyall_relcqzfi_sf_lc b/contrib/basissets/Dyall/dyall_relcqzfi_sf_lc index c8d4b97f91..6654a2a33c 100644 --- a/contrib/basissets/Dyall/dyall_relcqzfi_sf_lc +++ b/contrib/basissets/Dyall/dyall_relcqzfi_sf_lc @@ -1,4 +1,4 @@ -# $Id: dyall_relcqzfi_sf_lc,v 1.1 2004-02-18 23:33:48 mg201 Exp $ +# $Id$ basis "Hf_dyall_relcqz(fi/sf/lc)" SPHERICAL Hf s 1.7889818E+00 9.99964282374E-01 diff --git a/contrib/basissets/Dyall/dyall_relcqzfi_sf_sc b/contrib/basissets/Dyall/dyall_relcqzfi_sf_sc index cd820bb5d4..2cdf79ecaa 100644 --- a/contrib/basissets/Dyall/dyall_relcqzfi_sf_sc +++ b/contrib/basissets/Dyall/dyall_relcqzfi_sf_sc @@ -1,4 +1,4 @@ -# $Id: dyall_relcqzfi_sf_sc,v 1.1 2004-02-18 23:33:48 mg201 Exp $ +# $Id$ basis "Hf_dyall_relcqz(fi/sf/sc)" SPHERICAL Hf s 1.7889818E+00 9.99892845846E-01 diff --git a/contrib/basissets/Dyall/dyall_relctzfi_sf_sc b/contrib/basissets/Dyall/dyall_relctzfi_sf_sc index 9cb042597a..68c7124c06 100644 --- a/contrib/basissets/Dyall/dyall_relctzfi_sf_sc +++ b/contrib/basissets/Dyall/dyall_relctzfi_sf_sc @@ -1,4 +1,4 @@ -# $Id: dyall_relctzfi_sf_sc,v 1.2 2004-02-18 23:33:48 mg201 Exp $ +# $Id$ basis "Ga_dyall_relctz(fi/sf/sc)" SPHERICAL Ga s 4.6490484E+00 9.99721619339E-01 diff --git a/contrib/basissets/Dyall/dyall_relpvdzfi_sf_fw b/contrib/basissets/Dyall/dyall_relpvdzfi_sf_fw index cda3cd1de8..75db910208 100644 --- a/contrib/basissets/Dyall/dyall_relpvdzfi_sf_fw +++ b/contrib/basissets/Dyall/dyall_relpvdzfi_sf_fw @@ -1,4 +1,4 @@ -# $Id: dyall_relpvdzfi_sf_fw,v 1.2 2004-02-17 16:45:43 mg201 Exp $ +# $Id$ basis "Ga_dyall_relpvdz(fi/sf/fw)" SPHERICAL Ga s 2.5339378E+06 2.27494264941E-04 -7.24347944377E-05 2.77404574706E-05 -6.53930970462E-06 diff --git a/contrib/basissets/Dyall/dyall_relpvdzfi_sf_lc b/contrib/basissets/Dyall/dyall_relpvdzfi_sf_lc index 4b160b771a..86abf7723b 100644 --- a/contrib/basissets/Dyall/dyall_relpvdzfi_sf_lc +++ b/contrib/basissets/Dyall/dyall_relpvdzfi_sf_lc @@ -1,4 +1,4 @@ -# $Id: dyall_relpvdzfi_sf_lc,v 1.2 2004-02-17 16:45:43 mg201 Exp $ +# $Id$ basis "Ga_dyall_relpvdz(fi/sf/lc)" SPHERICAL Ga s 2.5339378E+06 1.08023541913E-04 -3.43166430120E-05 1.31532731045E-05 -3.08693088580E-06 diff --git a/contrib/basissets/Dyall/dyall_relpvdzfi_sf_sc b/contrib/basissets/Dyall/dyall_relpvdzfi_sf_sc index aa14cbf499..160d359572 100644 --- a/contrib/basissets/Dyall/dyall_relpvdzfi_sf_sc +++ b/contrib/basissets/Dyall/dyall_relpvdzfi_sf_sc @@ -1,4 +1,4 @@ -# $Id: dyall_relpvdzfi_sf_sc,v 1.2 2004-02-17 16:45:43 mg201 Exp $ +# $Id$ basis "Ga_dyall_relpvdz(fi/sf/sc)" SPHERICAL Ga s 2.5339378E+06 3.24638965618E-05 -1.02554132821E-05 3.93198344248E-06 -9.23027570672E-07 diff --git a/contrib/basissets/Dyall/dyall_relpvqzfi_sf_fw b/contrib/basissets/Dyall/dyall_relpvqzfi_sf_fw index 798ed653b1..78c9a59e4b 100644 --- a/contrib/basissets/Dyall/dyall_relpvqzfi_sf_fw +++ b/contrib/basissets/Dyall/dyall_relpvqzfi_sf_fw @@ -1,4 +1,4 @@ -# $Id: dyall_relpvqzfi_sf_fw,v 1.1 2004-02-17 16:45:43 mg201 Exp $ +# $Id$ basis "Hf_dyall_relpvqz(fi/sf/fw)" SPHERICAL Hf s 6.4780934E+07 3.04924106308E-04 -1.16497049609E-04 5.51797612336E-05 -2.69537621852E-05 1.06200771603E-05 -2.93165512157E-06 diff --git a/contrib/basissets/Dyall/dyall_relpvqzfi_sf_lc b/contrib/basissets/Dyall/dyall_relpvqzfi_sf_lc index ac4457eabf..d83ef7b2a1 100644 --- a/contrib/basissets/Dyall/dyall_relpvqzfi_sf_lc +++ b/contrib/basissets/Dyall/dyall_relpvqzfi_sf_lc @@ -1,4 +1,4 @@ -# $Id: dyall_relpvqzfi_sf_lc,v 1.1 2004-02-17 16:45:43 mg201 Exp $ +# $Id$ basis "Hf_dyall_relpvqz(fi/sf/lc)" SPHERICAL Hf s 6.4780934E+07 1.15732594175E-04 -4.35331707694E-05 2.05862685447E-05 -1.00484908749E-05 3.95935182609E-06 -1.09286086908E-06 diff --git a/contrib/basissets/Dyall/dyall_relpvqzfi_sf_sc b/contrib/basissets/Dyall/dyall_relpvqzfi_sf_sc index ee5c6db0a8..a3bd89db84 100644 --- a/contrib/basissets/Dyall/dyall_relpvqzfi_sf_sc +++ b/contrib/basissets/Dyall/dyall_relpvqzfi_sf_sc @@ -1,4 +1,4 @@ -# $Id: dyall_relpvqzfi_sf_sc,v 1.1 2004-02-17 16:45:43 mg201 Exp $ +# $Id$ basis "Hf_dyall_relpvqz(fi/sf/sc)" SPHERICAL Hf s 6.4780934E+07 2.96282360979E-06 -1.11187358532E-06 5.25594315675E-07 -2.56529189369E-07 1.01075005591E-07 -2.78984964847E-08 diff --git a/contrib/basissets/Dyall/dyall_relpvtzfi_sf_fw b/contrib/basissets/Dyall/dyall_relpvtzfi_sf_fw index 76a264af48..693642dd4d 100644 --- a/contrib/basissets/Dyall/dyall_relpvtzfi_sf_fw +++ b/contrib/basissets/Dyall/dyall_relpvtzfi_sf_fw @@ -1,4 +1,4 @@ -# $Id: dyall_relpvtzfi_sf_fw,v 1.2 2004-02-17 16:45:43 mg201 Exp $ +# $Id$ basis "Ga_dyall_relpvtz(fi/sf/fw)" SPHERICAL Ga s 5.5544596E+07 1.77144358863E-05 -5.67415007854E-06 2.17514556853E-06 -5.11137382950E-07 diff --git a/contrib/basissets/Dyall/dyall_relpvtzfi_sf_lc b/contrib/basissets/Dyall/dyall_relpvtzfi_sf_lc index c9dd343b2b..4fbac08d6c 100644 --- a/contrib/basissets/Dyall/dyall_relpvtzfi_sf_lc +++ b/contrib/basissets/Dyall/dyall_relpvtzfi_sf_lc @@ -1,4 +1,4 @@ -# $Id: dyall_relpvtzfi_sf_lc,v 1.2 2004-02-17 16:45:43 mg201 Exp $ +# $Id$ basis "Ga_dyall_relpvtz(fi/sf/lc)" SPHERICAL Ga s 5.5544596E+07 6.06703470563E-06 -1.92372396207E-06 7.36415120384E-07 -1.72761255942E-07 diff --git a/contrib/basissets/Dyall/dyall_relpvtzfi_sf_sc b/contrib/basissets/Dyall/dyall_relpvtzfi_sf_sc index a74c92420b..ba2751332f 100644 --- a/contrib/basissets/Dyall/dyall_relpvtzfi_sf_sc +++ b/contrib/basissets/Dyall/dyall_relpvtzfi_sf_sc @@ -1,4 +1,4 @@ -# $Id: dyall_relpvtzfi_sf_sc,v 1.2 2004-02-17 16:45:43 mg201 Exp $ +# $Id$ basis "Ga_dyall_relpvtz(fi/sf/sc)" SPHERICAL Ga s 5.5544596E+07 4.33534424297E-07 -1.37330583214E-07 5.25759348233E-08 -1.23376472805E-08 diff --git a/contrib/basissets/Dyall_DMD/aug-cc-pv5z_fi_sf_fw b/contrib/basissets/Dyall_DMD/aug-cc-pv5z_fi_sf_fw index d89ae02fac..01c1010d28 100644 --- a/contrib/basissets/Dyall_DMD/aug-cc-pv5z_fi_sf_fw +++ b/contrib/basissets/Dyall_DMD/aug-cc-pv5z_fi_sf_fw @@ -1,4 +1,4 @@ -# $Id: aug-cc-pv5z_fi_sf_fw,v 1.1 2002-01-02 19:11:06 bert Exp $ +# $Id$ basis "H_aug-cc-pv5z_fi_sf_fw" SPHERICAL H s 4.0200000E+02 2.76611905595E-04 diff --git a/contrib/basissets/Dyall_DMD/aug-cc-pv5z_fi_sf_lc b/contrib/basissets/Dyall_DMD/aug-cc-pv5z_fi_sf_lc index 95bbee7525..77669ffb2e 100644 --- a/contrib/basissets/Dyall_DMD/aug-cc-pv5z_fi_sf_lc +++ b/contrib/basissets/Dyall_DMD/aug-cc-pv5z_fi_sf_lc @@ -1,4 +1,4 @@ -# $Id: aug-cc-pv5z_fi_sf_lc,v 1.1 2002-01-02 19:11:06 bert Exp $ +# $Id$ basis "H_aug-cc-pv5z_fi_sf_lc" SPHERICAL H s 4.0200000E+02 2.79716920746E-04 diff --git a/contrib/basissets/Dyall_DMD/aug-cc-pv5z_fi_sf_sc b/contrib/basissets/Dyall_DMD/aug-cc-pv5z_fi_sf_sc index c4c531cc3f..1530fd2926 100644 --- a/contrib/basissets/Dyall_DMD/aug-cc-pv5z_fi_sf_sc +++ b/contrib/basissets/Dyall_DMD/aug-cc-pv5z_fi_sf_sc @@ -1,4 +1,4 @@ -# $Id: aug-cc-pv5z_fi_sf_sc,v 1.1 2002-01-02 19:11:06 bert Exp $ +# $Id$ basis "H_aug-cc-pv5z_fi_sf_sc" SPHERICAL H s 4.0200000E+02 2.79447478617E-04 diff --git a/contrib/basissets/Dyall_DMD/aug-cc-pv5z_pt_sf_fw b/contrib/basissets/Dyall_DMD/aug-cc-pv5z_pt_sf_fw index fcc1a91df9..a9aa8315f7 100644 --- a/contrib/basissets/Dyall_DMD/aug-cc-pv5z_pt_sf_fw +++ b/contrib/basissets/Dyall_DMD/aug-cc-pv5z_pt_sf_fw @@ -1,4 +1,4 @@ -# $Id: aug-cc-pv5z_pt_sf_fw,v 1.1 2002-01-02 19:11:06 bert Exp $ +# $Id$ basis "H_aug-cc-pv5z_pt_sf_fw" SPHERICAL H s 4.0200000E+02 2.76611991779E-04 diff --git a/contrib/basissets/Dyall_DMD/aug-cc-pv5z_pt_sf_lc b/contrib/basissets/Dyall_DMD/aug-cc-pv5z_pt_sf_lc index c723cae0f3..708cee5d04 100644 --- a/contrib/basissets/Dyall_DMD/aug-cc-pv5z_pt_sf_lc +++ b/contrib/basissets/Dyall_DMD/aug-cc-pv5z_pt_sf_lc @@ -1,4 +1,4 @@ -# $Id: aug-cc-pv5z_pt_sf_lc,v 1.1 2002-01-02 19:11:07 bert Exp $ +# $Id$ basis "H_aug-cc-pv5z_pt_sf_lc" SPHERICAL H s 4.0200000E+02 2.79717006163E-04 diff --git a/contrib/basissets/Dyall_DMD/aug-cc-pv5z_pt_sf_sc b/contrib/basissets/Dyall_DMD/aug-cc-pv5z_pt_sf_sc index e6509cb79c..23ebe8a9b8 100644 --- a/contrib/basissets/Dyall_DMD/aug-cc-pv5z_pt_sf_sc +++ b/contrib/basissets/Dyall_DMD/aug-cc-pv5z_pt_sf_sc @@ -1,4 +1,4 @@ -# $Id: aug-cc-pv5z_pt_sf_sc,v 1.1 2002-01-02 19:11:07 bert Exp $ +# $Id$ basis "H_aug-cc-pv5z_pt_sf_sc" SPHERICAL H s 4.0200000E+02 2.79447563984E-04 diff --git a/contrib/basissets/Dyall_DMD/aug-cc-pvdz_fi_sf_fw b/contrib/basissets/Dyall_DMD/aug-cc-pvdz_fi_sf_fw index 7b1b98c6bc..956ffd85ae 100644 --- a/contrib/basissets/Dyall_DMD/aug-cc-pvdz_fi_sf_fw +++ b/contrib/basissets/Dyall_DMD/aug-cc-pvdz_fi_sf_fw @@ -1,4 +1,4 @@ -# $Id: aug-cc-pvdz_fi_sf_fw,v 1.1 2002-01-02 19:11:07 bert Exp $ +# $Id$ basis "H_aug-cc-pvdz_fi_sf_fw" SPHERICAL H s 1.3010000E+01 1.96897750695E-02 diff --git a/contrib/basissets/Dyall_DMD/aug-cc-pvdz_fi_sf_lc b/contrib/basissets/Dyall_DMD/aug-cc-pvdz_fi_sf_lc index 5e300d6084..a288340f89 100644 --- a/contrib/basissets/Dyall_DMD/aug-cc-pvdz_fi_sf_lc +++ b/contrib/basissets/Dyall_DMD/aug-cc-pvdz_fi_sf_lc @@ -1,4 +1,4 @@ -# $Id: aug-cc-pvdz_fi_sf_lc,v 1.1 2002-01-02 19:11:07 bert Exp $ +# $Id$ basis "H_aug-cc-pvdz_fi_sf_lc" SPHERICAL H s 1.3010000E+01 1.96890509879E-02 diff --git a/contrib/basissets/Dyall_DMD/aug-cc-pvdz_fi_sf_sc b/contrib/basissets/Dyall_DMD/aug-cc-pvdz_fi_sf_sc index 625f3819b1..481dc697b2 100644 --- a/contrib/basissets/Dyall_DMD/aug-cc-pvdz_fi_sf_sc +++ b/contrib/basissets/Dyall_DMD/aug-cc-pvdz_fi_sf_sc @@ -1,4 +1,4 @@ -# $Id: aug-cc-pvdz_fi_sf_sc,v 1.1 2002-01-02 19:11:07 bert Exp $ +# $Id$ basis "H_aug-cc-pvdz_fi_sf_sc" SPHERICAL H s 1.3010000E+01 1.96862065380E-02 diff --git a/contrib/basissets/Dyall_DMD/aug-cc-pvdz_pt_sf_fw b/contrib/basissets/Dyall_DMD/aug-cc-pvdz_pt_sf_fw index a967a5d3b9..c1c1e02304 100644 --- a/contrib/basissets/Dyall_DMD/aug-cc-pvdz_pt_sf_fw +++ b/contrib/basissets/Dyall_DMD/aug-cc-pvdz_pt_sf_fw @@ -1,4 +1,4 @@ -# $Id: aug-cc-pvdz_pt_sf_fw,v 1.1 2002-01-02 19:11:07 bert Exp $ +# $Id$ basis "H_aug-cc-pvdz_pt_sf_fw" SPHERICAL H s 1.3010000E+01 1.96897753121E-02 diff --git a/contrib/basissets/Dyall_DMD/aug-cc-pvdz_pt_sf_lc b/contrib/basissets/Dyall_DMD/aug-cc-pvdz_pt_sf_lc index e78d86d2e4..7960abea8e 100644 --- a/contrib/basissets/Dyall_DMD/aug-cc-pvdz_pt_sf_lc +++ b/contrib/basissets/Dyall_DMD/aug-cc-pvdz_pt_sf_lc @@ -1,4 +1,4 @@ -# $Id: aug-cc-pvdz_pt_sf_lc,v 1.1 2002-01-02 19:11:08 bert Exp $ +# $Id$ basis "H_aug-cc-pvdz_pt_sf_lc" SPHERICAL H s 1.3010000E+01 1.96890512305E-02 diff --git a/contrib/basissets/Dyall_DMD/aug-cc-pvdz_pt_sf_sc b/contrib/basissets/Dyall_DMD/aug-cc-pvdz_pt_sf_sc index 87ed4f511a..debf866784 100644 --- a/contrib/basissets/Dyall_DMD/aug-cc-pvdz_pt_sf_sc +++ b/contrib/basissets/Dyall_DMD/aug-cc-pvdz_pt_sf_sc @@ -1,4 +1,4 @@ -# $Id: aug-cc-pvdz_pt_sf_sc,v 1.1 2002-01-02 19:11:08 bert Exp $ +# $Id$ basis "H_aug-cc-pvdz_pt_sf_sc" SPHERICAL H s 1.3010000E+01 1.96862067897E-02 diff --git a/contrib/basissets/Dyall_DMD/aug-cc-pvqz_fi_sf_fw b/contrib/basissets/Dyall_DMD/aug-cc-pvqz_fi_sf_fw index 7bc9110b4b..6360bcb4c3 100644 --- a/contrib/basissets/Dyall_DMD/aug-cc-pvqz_fi_sf_fw +++ b/contrib/basissets/Dyall_DMD/aug-cc-pvqz_fi_sf_fw @@ -1,4 +1,4 @@ -# $Id: aug-cc-pvqz_fi_sf_fw,v 1.1 2002-01-02 19:11:08 bert Exp $ +# $Id$ basis "H_aug-cc-pvqz_fi_sf_fw" SPHERICAL H s 8.2640000E+01 2.00522654425E-03 diff --git a/contrib/basissets/Dyall_DMD/aug-cc-pvqz_fi_sf_lc b/contrib/basissets/Dyall_DMD/aug-cc-pvqz_fi_sf_lc index 85d4394d1b..14ec81798b 100644 --- a/contrib/basissets/Dyall_DMD/aug-cc-pvqz_fi_sf_lc +++ b/contrib/basissets/Dyall_DMD/aug-cc-pvqz_fi_sf_lc @@ -1,4 +1,4 @@ -# $Id: aug-cc-pvqz_fi_sf_lc,v 1.1 2002-01-02 19:11:08 bert Exp $ +# $Id$ basis "H_aug-cc-pvqz_fi_sf_lc" SPHERICAL H s 8.2640000E+01 2.00729302214E-03 diff --git a/contrib/basissets/Dyall_DMD/aug-cc-pvqz_fi_sf_sc b/contrib/basissets/Dyall_DMD/aug-cc-pvqz_fi_sf_sc index 32338596c8..c4087bb969 100644 --- a/contrib/basissets/Dyall_DMD/aug-cc-pvqz_fi_sf_sc +++ b/contrib/basissets/Dyall_DMD/aug-cc-pvqz_fi_sf_sc @@ -1,4 +1,4 @@ -# $Id: aug-cc-pvqz_fi_sf_sc,v 1.1 2002-01-02 19:11:08 bert Exp $ +# $Id$ basis "H_aug-cc-pvqz_fi_sf_sc" SPHERICAL H s 8.2640000E+01 2.00645648395E-03 diff --git a/contrib/basissets/Dyall_DMD/aug-cc-pvqz_pt_sf_fw b/contrib/basissets/Dyall_DMD/aug-cc-pvqz_pt_sf_fw index af3240e018..fa8ec92cdb 100644 --- a/contrib/basissets/Dyall_DMD/aug-cc-pvqz_pt_sf_fw +++ b/contrib/basissets/Dyall_DMD/aug-cc-pvqz_pt_sf_fw @@ -1,4 +1,4 @@ -# $Id: aug-cc-pvqz_pt_sf_fw,v 1.1 2002-01-02 19:11:08 bert Exp $ +# $Id$ basis "H_aug-cc-pvqz_pt_sf_fw" SPHERICAL H s 8.2640000E+01 2.00522667813E-03 diff --git a/contrib/basissets/Dyall_DMD/aug-cc-pvqz_pt_sf_lc b/contrib/basissets/Dyall_DMD/aug-cc-pvqz_pt_sf_lc index 860a85e82c..6597bc1a9b 100644 --- a/contrib/basissets/Dyall_DMD/aug-cc-pvqz_pt_sf_lc +++ b/contrib/basissets/Dyall_DMD/aug-cc-pvqz_pt_sf_lc @@ -1,4 +1,4 @@ -# $Id: aug-cc-pvqz_pt_sf_lc,v 1.1 2002-01-02 19:11:08 bert Exp $ +# $Id$ basis "H_aug-cc-pvqz_pt_sf_lc" SPHERICAL H s 8.2640000E+01 2.00729315577E-03 diff --git a/contrib/basissets/Dyall_DMD/aug-cc-pvqz_pt_sf_sc b/contrib/basissets/Dyall_DMD/aug-cc-pvqz_pt_sf_sc index 8d50be1983..b674d3dffd 100644 --- a/contrib/basissets/Dyall_DMD/aug-cc-pvqz_pt_sf_sc +++ b/contrib/basissets/Dyall_DMD/aug-cc-pvqz_pt_sf_sc @@ -1,4 +1,4 @@ -# $Id: aug-cc-pvqz_pt_sf_sc,v 1.1 2002-01-02 19:11:09 bert Exp $ +# $Id$ basis "H_aug-cc-pvqz_pt_sf_sc" SPHERICAL H s 8.2640000E+01 2.00645661753E-03 diff --git a/contrib/basissets/Dyall_DMD/aug-cc-pvtz_fi_sf_fw b/contrib/basissets/Dyall_DMD/aug-cc-pvtz_fi_sf_fw index 480e6e45f9..7f03756807 100644 --- a/contrib/basissets/Dyall_DMD/aug-cc-pvtz_fi_sf_fw +++ b/contrib/basissets/Dyall_DMD/aug-cc-pvtz_fi_sf_fw @@ -1,4 +1,4 @@ -# $Id: aug-cc-pvtz_fi_sf_fw,v 1.1 2002-01-02 19:11:09 bert Exp $ +# $Id$ basis "H_aug-cc-pvtz_fi_sf_fw" SPHERICAL H s 3.3870000E+01 6.06899458871E-03 diff --git a/contrib/basissets/Dyall_DMD/aug-cc-pvtz_fi_sf_lc b/contrib/basissets/Dyall_DMD/aug-cc-pvtz_fi_sf_lc index 6d85b788ed..6f5b05e9d0 100644 --- a/contrib/basissets/Dyall_DMD/aug-cc-pvtz_fi_sf_lc +++ b/contrib/basissets/Dyall_DMD/aug-cc-pvtz_fi_sf_lc @@ -1,4 +1,4 @@ -# $Id: aug-cc-pvtz_fi_sf_lc,v 1.1 2002-01-02 19:11:09 bert Exp $ +# $Id$ basis "H_aug-cc-pvtz_fi_sf_lc" SPHERICAL H s 3.3870000E+01 6.07012738588E-03 diff --git a/contrib/basissets/Dyall_DMD/aug-cc-pvtz_fi_sf_sc b/contrib/basissets/Dyall_DMD/aug-cc-pvtz_fi_sf_sc index 9515ac244e..9b3860948c 100644 --- a/contrib/basissets/Dyall_DMD/aug-cc-pvtz_fi_sf_sc +++ b/contrib/basissets/Dyall_DMD/aug-cc-pvtz_fi_sf_sc @@ -1,4 +1,4 @@ -# $Id: aug-cc-pvtz_fi_sf_sc,v 1.1 2002-01-02 19:11:09 bert Exp $ +# $Id$ basis "H_aug-cc-pvtz_fi_sf_sc" SPHERICAL H s 3.3870000E+01 6.06858578179E-03 diff --git a/contrib/basissets/Dyall_DMD/aug-cc-pvtz_pt_sf_fw b/contrib/basissets/Dyall_DMD/aug-cc-pvtz_pt_sf_fw index 0828159176..5c99d88bd5 100644 --- a/contrib/basissets/Dyall_DMD/aug-cc-pvtz_pt_sf_fw +++ b/contrib/basissets/Dyall_DMD/aug-cc-pvtz_pt_sf_fw @@ -1,4 +1,4 @@ -# $Id: aug-cc-pvtz_pt_sf_fw,v 1.1 2002-01-02 19:11:09 bert Exp $ +# $Id$ basis "H_aug-cc-pvtz_pt_sf_fw" SPHERICAL H s 3.3870000E+01 6.06899476483E-03 diff --git a/contrib/basissets/Dyall_DMD/aug-cc-pvtz_pt_sf_lc b/contrib/basissets/Dyall_DMD/aug-cc-pvtz_pt_sf_lc index 821c01ea5f..35bc1aae23 100644 --- a/contrib/basissets/Dyall_DMD/aug-cc-pvtz_pt_sf_lc +++ b/contrib/basissets/Dyall_DMD/aug-cc-pvtz_pt_sf_lc @@ -1,4 +1,4 @@ -# $Id: aug-cc-pvtz_pt_sf_lc,v 1.1 2002-01-02 19:11:09 bert Exp $ +# $Id$ basis "H_aug-cc-pvtz_pt_sf_lc" SPHERICAL H s 3.3870000E+01 6.07012756187E-03 diff --git a/contrib/basissets/Dyall_DMD/aug-cc-pvtz_pt_sf_sc b/contrib/basissets/Dyall_DMD/aug-cc-pvtz_pt_sf_sc index bd15543921..19690fde4b 100644 --- a/contrib/basissets/Dyall_DMD/aug-cc-pvtz_pt_sf_sc +++ b/contrib/basissets/Dyall_DMD/aug-cc-pvtz_pt_sf_sc @@ -1,4 +1,4 @@ -# $Id: aug-cc-pvtz_pt_sf_sc,v 1.1 2002-01-02 19:11:09 bert Exp $ +# $Id$ basis "H_aug-cc-pvtz_pt_sf_sc" SPHERICAL H s 3.3870000E+01 6.06858595774E-03 diff --git a/contrib/basissets/Dyall_DMD/dyall_nrapvdz_fi b/contrib/basissets/Dyall_DMD/dyall_nrapvdz_fi index 96f8a4df40..117ab1cf6a 100644 --- a/contrib/basissets/Dyall_DMD/dyall_nrapvdz_fi +++ b/contrib/basissets/Dyall_DMD/dyall_nrapvdz_fi @@ -1,4 +1,4 @@ -# $Id: dyall_nrapvdz_fi,v 1.1 2002-01-02 19:11:52 bert Exp $ +# $Id$ basis "Ga_dyall_nrapvdz_fi" SPHERICAL Ga s 8.3916211E+05 1.03495115075E-04 -3.20139719090E-05 1.22362508284E-05 -2.84907859364E-06 diff --git a/contrib/basissets/Dyall_DMD/dyall_nrpcapvdz_fi b/contrib/basissets/Dyall_DMD/dyall_nrpcapvdz_fi index 27bcd0293b..5749831ba0 100644 --- a/contrib/basissets/Dyall_DMD/dyall_nrpcapvdz_fi +++ b/contrib/basissets/Dyall_DMD/dyall_nrpcapvdz_fi @@ -1,4 +1,4 @@ -# $Id: dyall_nrpcapvdz_fi,v 1.1 2002-01-02 19:11:53 bert Exp $ +# $Id$ basis "Ga_dyall_nrpcapvdz_fi" SPHERICAL Ga s 8.3916211E+05 1.03495115075E-04 -3.20139719090E-05 1.22362508284E-05 -2.84907859364E-06 diff --git a/contrib/basissets/Dyall_DMD/dyall_nrpcpvdz_fi b/contrib/basissets/Dyall_DMD/dyall_nrpcpvdz_fi index 3d6692f9ba..cf1a022040 100644 --- a/contrib/basissets/Dyall_DMD/dyall_nrpcpvdz_fi +++ b/contrib/basissets/Dyall_DMD/dyall_nrpcpvdz_fi @@ -1,4 +1,4 @@ -# $Id: dyall_nrpcpvdz_fi,v 1.1 2002-01-02 19:11:53 bert Exp $ +# $Id$ basis "Ga_dyall_nrpcpvdz_fi" SPHERICAL Ga s 8.3916211E+05 1.03495115075E-04 -3.20139719090E-05 1.22362508284E-05 -2.84907859364E-06 diff --git a/contrib/basissets/Dyall_DMD/dyall_nrpvdz_fi b/contrib/basissets/Dyall_DMD/dyall_nrpvdz_fi index 12863c3850..f4389f511e 100644 --- a/contrib/basissets/Dyall_DMD/dyall_nrpvdz_fi +++ b/contrib/basissets/Dyall_DMD/dyall_nrpvdz_fi @@ -1,4 +1,4 @@ -# $Id: dyall_nrpvdz_fi,v 1.1 2002-01-02 19:11:53 bert Exp $ +# $Id$ basis "Ga_dyall_nrpvdz_fi" SPHERICAL Ga s 8.3916211E+05 1.03495115075E-04 -3.20139719090E-05 1.22362508284E-05 -2.84907859364E-06 diff --git a/contrib/basissets/Dyall_DMD/dyall_nrrcapvdz_fi b/contrib/basissets/Dyall_DMD/dyall_nrrcapvdz_fi index 97ca1fe391..e541cc660f 100644 --- a/contrib/basissets/Dyall_DMD/dyall_nrrcapvdz_fi +++ b/contrib/basissets/Dyall_DMD/dyall_nrrcapvdz_fi @@ -1,4 +1,4 @@ -# $Id: dyall_nrrcapvdz_fi,v 1.1 2002-01-02 19:11:53 bert Exp $ +# $Id$ basis "Ga_dyall_nrrcapvdz_fi" SPHERICAL Ga s 8.3916211E+05 1.03495115075E-04 -3.20139719090E-05 1.22362508284E-05 -2.84907859364E-06 diff --git a/contrib/basissets/Dyall_DMD/dyall_nrrcpvdz_fi b/contrib/basissets/Dyall_DMD/dyall_nrrcpvdz_fi index d01f425a64..6bd954b9c1 100644 --- a/contrib/basissets/Dyall_DMD/dyall_nrrcpvdz_fi +++ b/contrib/basissets/Dyall_DMD/dyall_nrrcpvdz_fi @@ -1,4 +1,4 @@ -# $Id: dyall_nrrcpvdz_fi,v 1.1 2002-01-02 19:11:54 bert Exp $ +# $Id$ basis "Ga_dyall_nrrcpvdz_fi" SPHERICAL Ga s 8.3916211E+05 1.03495115075E-04 -3.20139719090E-05 1.22362508284E-05 -2.84907859364E-06 diff --git a/contrib/basissets/Dyall_DMD/dyall_relapvdz_fi_sf_fw b/contrib/basissets/Dyall_DMD/dyall_relapvdz_fi_sf_fw index 3b50b0dda3..1dac562f3c 100644 --- a/contrib/basissets/Dyall_DMD/dyall_relapvdz_fi_sf_fw +++ b/contrib/basissets/Dyall_DMD/dyall_relapvdz_fi_sf_fw @@ -1,4 +1,4 @@ -# $Id: dyall_relapvdz_fi_sf_fw,v 1.1 2002-01-02 19:11:54 bert Exp $ +# $Id$ basis "Ga_dyall_relapvdz_fi_sf_fw" SPHERICAL Ga s 2.5339378E+06 2.27494264941E-04 -7.24347944377E-05 2.77404574706E-05 -6.53930970462E-06 diff --git a/contrib/basissets/Dyall_DMD/dyall_relapvdz_fi_sf_lc b/contrib/basissets/Dyall_DMD/dyall_relapvdz_fi_sf_lc index c1990214e0..4586304df0 100644 --- a/contrib/basissets/Dyall_DMD/dyall_relapvdz_fi_sf_lc +++ b/contrib/basissets/Dyall_DMD/dyall_relapvdz_fi_sf_lc @@ -1,4 +1,4 @@ -# $Id: dyall_relapvdz_fi_sf_lc,v 1.1 2002-01-02 19:11:54 bert Exp $ +# $Id$ basis "Ga_dyall_relapvdz_fi_sf_lc" SPHERICAL Ga s 2.5339378E+06 1.08023541913E-04 -3.43166430120E-05 1.31532731045E-05 -3.08693088580E-06 diff --git a/contrib/basissets/Dyall_DMD/dyall_relapvdz_fi_sf_sc b/contrib/basissets/Dyall_DMD/dyall_relapvdz_fi_sf_sc index ff537a4950..968e52cd8d 100644 --- a/contrib/basissets/Dyall_DMD/dyall_relapvdz_fi_sf_sc +++ b/contrib/basissets/Dyall_DMD/dyall_relapvdz_fi_sf_sc @@ -1,4 +1,4 @@ -# $Id: dyall_relapvdz_fi_sf_sc,v 1.1 2002-01-02 19:11:54 bert Exp $ +# $Id$ basis "Ga_dyall_relapvdz_fi_sf_sc" SPHERICAL Ga s 2.5339378E+06 3.24638965618E-05 -1.02554132821E-05 3.93198344248E-06 -9.23027570672E-07 diff --git a/contrib/basissets/Dyall_DMD/dyall_reldz_aug b/contrib/basissets/Dyall_DMD/dyall_reldz_aug index decb18edbe..21905cde48 100644 --- a/contrib/basissets/Dyall_DMD/dyall_reldz_aug +++ b/contrib/basissets/Dyall_DMD/dyall_reldz_aug @@ -1,4 +1,4 @@ -# $Id: dyall_reldz_aug,v 1.1 2002-01-02 19:11:55 bert Exp $ +# $Id$ basis "Ga_dyall_reldz_aug" SPHERICAL Ga s 2.3477550E-02 1.00000000000E+00 diff --git a/contrib/basissets/Dyall_DMD/dyall_relpcapvdz_fi_sf_fw b/contrib/basissets/Dyall_DMD/dyall_relpcapvdz_fi_sf_fw index 5ae80b5d62..f718441a00 100644 --- a/contrib/basissets/Dyall_DMD/dyall_relpcapvdz_fi_sf_fw +++ b/contrib/basissets/Dyall_DMD/dyall_relpcapvdz_fi_sf_fw @@ -1,4 +1,4 @@ -# $Id: dyall_relpcapvdz_fi_sf_fw,v 1.1 2002-01-02 19:11:55 bert Exp $ +# $Id$ basis "Ga_dyall_relpcapvdz_fi_sf_fw" SPHERICAL Ga s 2.5339378E+06 2.27494264941E-04 -7.24347944377E-05 2.77404574706E-05 -6.53930970462E-06 diff --git a/contrib/basissets/Dyall_DMD/dyall_relpcapvdz_fi_sf_lc b/contrib/basissets/Dyall_DMD/dyall_relpcapvdz_fi_sf_lc index 2b6e188366..9b3a59787e 100644 --- a/contrib/basissets/Dyall_DMD/dyall_relpcapvdz_fi_sf_lc +++ b/contrib/basissets/Dyall_DMD/dyall_relpcapvdz_fi_sf_lc @@ -1,4 +1,4 @@ -# $Id: dyall_relpcapvdz_fi_sf_lc,v 1.1 2002-01-02 19:11:55 bert Exp $ +# $Id$ basis "Ga_dyall_relpcapvdz_fi_sf_lc" SPHERICAL Ga s 2.5339378E+06 1.08023541913E-04 -3.43166430120E-05 1.31532731045E-05 -3.08693088580E-06 diff --git a/contrib/basissets/Dyall_DMD/dyall_relpcapvdz_fi_sf_sc b/contrib/basissets/Dyall_DMD/dyall_relpcapvdz_fi_sf_sc index 5bdcc53fb1..bb332314b9 100644 --- a/contrib/basissets/Dyall_DMD/dyall_relpcapvdz_fi_sf_sc +++ b/contrib/basissets/Dyall_DMD/dyall_relpcapvdz_fi_sf_sc @@ -1,4 +1,4 @@ -# $Id: dyall_relpcapvdz_fi_sf_sc,v 1.1 2002-01-02 19:11:55 bert Exp $ +# $Id$ basis "Ga_dyall_relpcapvdz_fi_sf_sc" SPHERICAL Ga s 2.5339378E+06 3.24638965618E-05 -1.02554132821E-05 3.93198344248E-06 -9.23027570672E-07 diff --git a/contrib/basissets/Dyall_DMD/dyall_relpcpvdz_fi_sf_fw b/contrib/basissets/Dyall_DMD/dyall_relpcpvdz_fi_sf_fw index 33a62bf9a8..494c056457 100644 --- a/contrib/basissets/Dyall_DMD/dyall_relpcpvdz_fi_sf_fw +++ b/contrib/basissets/Dyall_DMD/dyall_relpcpvdz_fi_sf_fw @@ -1,4 +1,4 @@ -# $Id: dyall_relpcpvdz_fi_sf_fw,v 1.1 2002-01-02 19:11:55 bert Exp $ +# $Id$ basis "Ga_dyall_relpcpvdz_fi_sf_fw" SPHERICAL Ga s 2.5339378E+06 2.27494264941E-04 -7.24347944377E-05 2.77404574706E-05 -6.53930970462E-06 diff --git a/contrib/basissets/Dyall_DMD/dyall_relpcpvdz_fi_sf_lc b/contrib/basissets/Dyall_DMD/dyall_relpcpvdz_fi_sf_lc index 625ed5dd3b..852bb39457 100644 --- a/contrib/basissets/Dyall_DMD/dyall_relpcpvdz_fi_sf_lc +++ b/contrib/basissets/Dyall_DMD/dyall_relpcpvdz_fi_sf_lc @@ -1,4 +1,4 @@ -# $Id: dyall_relpcpvdz_fi_sf_lc,v 1.1 2002-01-02 19:11:56 bert Exp $ +# $Id$ basis "Ga_dyall_relpcpvdz_fi_sf_lc" SPHERICAL Ga s 2.5339378E+06 1.08023541913E-04 -3.43166430120E-05 1.31532731045E-05 -3.08693088580E-06 diff --git a/contrib/basissets/Dyall_DMD/dyall_relpcpvdz_fi_sf_sc b/contrib/basissets/Dyall_DMD/dyall_relpcpvdz_fi_sf_sc index 85a37f303b..394ae7aeb0 100644 --- a/contrib/basissets/Dyall_DMD/dyall_relpcpvdz_fi_sf_sc +++ b/contrib/basissets/Dyall_DMD/dyall_relpcpvdz_fi_sf_sc @@ -1,4 +1,4 @@ -# $Id: dyall_relpcpvdz_fi_sf_sc,v 1.1 2002-01-02 19:11:56 bert Exp $ +# $Id$ basis "Ga_dyall_relpcpvdz_fi_sf_sc" SPHERICAL Ga s 2.5339378E+06 3.24638965618E-05 -1.02554132821E-05 3.93198344248E-06 -9.23027570672E-07 diff --git a/contrib/basissets/Dyall_DMD/dyall_relpvdz_fi_sf_fw b/contrib/basissets/Dyall_DMD/dyall_relpvdz_fi_sf_fw index f6720e5ec4..238883902b 100644 --- a/contrib/basissets/Dyall_DMD/dyall_relpvdz_fi_sf_fw +++ b/contrib/basissets/Dyall_DMD/dyall_relpvdz_fi_sf_fw @@ -1,4 +1,4 @@ -# $Id: dyall_relpvdz_fi_sf_fw,v 1.1 2002-01-02 19:11:56 bert Exp $ +# $Id$ basis "Ga_dyall_relpvdz_fi_sf_fw" SPHERICAL Ga s 2.5339378E+06 2.27494264941E-04 -7.24347944377E-05 2.77404574706E-05 -6.53930970462E-06 diff --git a/contrib/basissets/Dyall_DMD/dyall_relpvdz_fi_sf_lc b/contrib/basissets/Dyall_DMD/dyall_relpvdz_fi_sf_lc index 8be1829321..0c39e1e017 100644 --- a/contrib/basissets/Dyall_DMD/dyall_relpvdz_fi_sf_lc +++ b/contrib/basissets/Dyall_DMD/dyall_relpvdz_fi_sf_lc @@ -1,4 +1,4 @@ -# $Id: dyall_relpvdz_fi_sf_lc,v 1.1 2002-01-02 19:11:56 bert Exp $ +# $Id$ basis "Ga_dyall_relpvdz_fi_sf_lc" SPHERICAL Ga s 2.5339378E+06 1.08023541913E-04 -3.43166430120E-05 1.31532731045E-05 -3.08693088580E-06 diff --git a/contrib/basissets/Dyall_DMD/dyall_relpvdz_fi_sf_sc b/contrib/basissets/Dyall_DMD/dyall_relpvdz_fi_sf_sc index 0b62e384c4..8d2dff9a4e 100644 --- a/contrib/basissets/Dyall_DMD/dyall_relpvdz_fi_sf_sc +++ b/contrib/basissets/Dyall_DMD/dyall_relpvdz_fi_sf_sc @@ -1,4 +1,4 @@ -# $Id: dyall_relpvdz_fi_sf_sc,v 1.1 2002-01-02 19:11:57 bert Exp $ +# $Id$ basis "Ga_dyall_relpvdz_fi_sf_sc" SPHERICAL Ga s 2.5339378E+06 3.24638965618E-05 -1.02554132821E-05 3.93198344248E-06 -9.23027570672E-07 diff --git a/contrib/basissets/Dyall_DMD/dyall_relrcapvdz_fi_sf_fw b/contrib/basissets/Dyall_DMD/dyall_relrcapvdz_fi_sf_fw index e0f412c1b7..e9d638d0ca 100644 --- a/contrib/basissets/Dyall_DMD/dyall_relrcapvdz_fi_sf_fw +++ b/contrib/basissets/Dyall_DMD/dyall_relrcapvdz_fi_sf_fw @@ -1,4 +1,4 @@ -# $Id: dyall_relrcapvdz_fi_sf_fw,v 1.1 2002-01-02 19:11:58 bert Exp $ +# $Id$ basis "Ga_dyall_relrcapvdz_fi_sf_fw" SPHERICAL Ga s 2.5339378E+06 2.27494264941E-04 -7.24347944377E-05 2.77404574706E-05 -6.53930970462E-06 diff --git a/contrib/basissets/Dyall_DMD/dyall_relrcapvdz_fi_sf_lc b/contrib/basissets/Dyall_DMD/dyall_relrcapvdz_fi_sf_lc index 09bd3ba4e5..564d668580 100644 --- a/contrib/basissets/Dyall_DMD/dyall_relrcapvdz_fi_sf_lc +++ b/contrib/basissets/Dyall_DMD/dyall_relrcapvdz_fi_sf_lc @@ -1,4 +1,4 @@ -# $Id: dyall_relrcapvdz_fi_sf_lc,v 1.1 2002-01-02 19:11:58 bert Exp $ +# $Id$ basis "Ga_dyall_relrcapvdz_fi_sf_lc" SPHERICAL Ga s 2.5339378E+06 1.08023541913E-04 -3.43166430120E-05 1.31532731045E-05 -3.08693088580E-06 diff --git a/contrib/basissets/Dyall_DMD/dyall_relrcapvdz_fi_sf_sc b/contrib/basissets/Dyall_DMD/dyall_relrcapvdz_fi_sf_sc index 33ee9a9195..655e1509b5 100644 --- a/contrib/basissets/Dyall_DMD/dyall_relrcapvdz_fi_sf_sc +++ b/contrib/basissets/Dyall_DMD/dyall_relrcapvdz_fi_sf_sc @@ -1,4 +1,4 @@ -# $Id: dyall_relrcapvdz_fi_sf_sc,v 1.1 2002-01-02 19:11:58 bert Exp $ +# $Id$ basis "Ga_dyall_relrcapvdz_fi_sf_sc" SPHERICAL Ga s 2.5339378E+06 3.24638965618E-05 -1.02554132821E-05 3.93198344248E-06 -9.23027570672E-07 diff --git a/contrib/basissets/Dyall_DMD/dyall_relrcpvdz_fi_sf_fw b/contrib/basissets/Dyall_DMD/dyall_relrcpvdz_fi_sf_fw index 4928642c06..4b2016c4ae 100644 --- a/contrib/basissets/Dyall_DMD/dyall_relrcpvdz_fi_sf_fw +++ b/contrib/basissets/Dyall_DMD/dyall_relrcpvdz_fi_sf_fw @@ -1,4 +1,4 @@ -# $Id: dyall_relrcpvdz_fi_sf_fw,v 1.1 2002-01-02 19:11:58 bert Exp $ +# $Id$ basis "Ga_dyall_relrcpvdz_fi_sf_fw" SPHERICAL Ga s 2.5339378E+06 2.27494264941E-04 -7.24347944377E-05 2.77404574706E-05 -6.53930970462E-06 diff --git a/contrib/basissets/Dyall_DMD/dyall_relrcpvdz_fi_sf_lc b/contrib/basissets/Dyall_DMD/dyall_relrcpvdz_fi_sf_lc index 3ac447fc84..57c4aa162f 100644 --- a/contrib/basissets/Dyall_DMD/dyall_relrcpvdz_fi_sf_lc +++ b/contrib/basissets/Dyall_DMD/dyall_relrcpvdz_fi_sf_lc @@ -1,4 +1,4 @@ -# $Id: dyall_relrcpvdz_fi_sf_lc,v 1.1 2002-01-02 19:11:59 bert Exp $ +# $Id$ basis "Ga_dyall_relrcpvdz_fi_sf_lc" SPHERICAL Ga s 2.5339378E+06 1.08023541913E-04 -3.43166430120E-05 1.31532731045E-05 -3.08693088580E-06 diff --git a/contrib/basissets/Dyall_DMD/dyall_relrcpvdz_fi_sf_sc b/contrib/basissets/Dyall_DMD/dyall_relrcpvdz_fi_sf_sc index e1901fcbf9..a93f769808 100644 --- a/contrib/basissets/Dyall_DMD/dyall_relrcpvdz_fi_sf_sc +++ b/contrib/basissets/Dyall_DMD/dyall_relrcpvdz_fi_sf_sc @@ -1,4 +1,4 @@ -# $Id: dyall_relrcpvdz_fi_sf_sc,v 1.1 2002-01-02 19:11:59 bert Exp $ +# $Id$ basis "Ga_dyall_relrcpvdz_fi_sf_sc" SPHERICAL Ga s 2.5339378E+06 3.24638965618E-05 -1.02554132821E-05 3.93198344248E-06 -9.23027570672E-07 diff --git a/contrib/da_rec_size.f b/contrib/da_rec_size.f index 3ebfa87b42..a2db45bb8a 100644 --- a/contrib/da_rec_size.f +++ b/contrib/da_rec_size.f @@ -4,7 +4,7 @@ c 'da_rec_size.test' (in bytes) using 'ls' and divide by 1024 units. C Program da_rec_size -C$Id: da_rec_size.f,v 1.1 1997-02-17 21:23:49 gg502 Exp $ +C$Id$ Implicit NONE Integer RecLen Parameter (RecLen = 512) diff --git a/contrib/dntmc/averagehist_5.F b/contrib/dntmc/averagehist_5.F index 7cdea66662..65a3b66125 100644 --- a/contrib/dntmc/averagehist_5.F +++ b/contrib/dntmc/averagehist_5.F @@ -1,4 +1,4 @@ -C$Id: averagehist_5.F,v 1.1 2008-03-02 05:06:26 windus Exp $ +C$Id$ Program averagehist_5 Implicit none diff --git a/contrib/dntmc/data_analysis5.F b/contrib/dntmc/data_analysis5.F index 91493e066f..b8185d7f27 100644 --- a/contrib/dntmc/data_analysis5.F +++ b/contrib/dntmc/data_analysis5.F @@ -1,4 +1,4 @@ -C$Id: data_analysis5.F,v 1.1 2008-03-02 05:06:26 windus Exp $ +C$Id$ Program Data_Analysis5 implicit none diff --git a/contrib/dntmc/readme b/contrib/dntmc/readme index 3728d443f7..4e91c8cae8 100644 --- a/contrib/dntmc/readme +++ b/contrib/dntmc/readme @@ -1,4 +1,4 @@ -$Id: readme,v 1.1 2008-03-02 05:06:26 windus Exp $ +$Id$ **************************************************************** Program averagehist_5 diff --git a/contrib/dntmc/refinedistribution_5.F b/contrib/dntmc/refinedistribution_5.F index 3925ed3492..eff3f8f48d 100644 --- a/contrib/dntmc/refinedistribution_5.F +++ b/contrib/dntmc/refinedistribution_5.F @@ -1,4 +1,4 @@ -C$Id: refinedistribution_5.F,v 1.1 2008-03-02 05:06:26 windus Exp $ +C$Id$ Program refinedistribution_5 Implicit none diff --git a/contrib/findconstfh.pl b/contrib/findconstfh.pl index 360b98d44d..9ef64a5c44 100644 --- a/contrib/findconstfh.pl +++ b/contrib/findconstfh.pl @@ -1,5 +1,5 @@ # -# $Id: findconstfh.pl,v 1.1 1998-09-29 19:31:43 d3e129 Exp $ +# $Id$ # # perl script searches for un-terminated character constants in include files # diff --git a/contrib/getmem.nwchem b/contrib/getmem.nwchem index 198c553e9a..9b7e64391a 100755 --- a/contrib/getmem.nwchem +++ b/contrib/getmem.nwchem @@ -1,6 +1,6 @@ #!/bin/csh -f # -# $Id: getmem.nwchem,v 1.8 2008-12-08 14:49:06 jhammond Exp $ +# $Id$ # this script tries to figure out no. of processors and RAM # to get the maximum available memory in memor_def.F # It can also pick up an alternate amount of memory to take diff --git a/contrib/hessian/makerestart.f b/contrib/hessian/makerestart.f index 271636e212..fbf20e02bc 100644 --- a/contrib/hessian/makerestart.f +++ b/contrib/hessian/makerestart.f @@ -1,7 +1,7 @@ program hessrst implicit none c -c $Id: makerestart.f,v 1.1 2001-07-19 21:05:44 windus Exp $ +c $Id$ c This program helps create a fdrst file for numerical hessian restarts. c There are several lines below that need to be modified so the program c picks up the correct hessian and fd_ddipole files and so that diff --git a/contrib/javasupport/GNUmakefile b/contrib/javasupport/GNUmakefile index 0dc47b8e4d..d1091db4a3 100644 --- a/contrib/javasupport/GNUmakefile +++ b/contrib/javasupport/GNUmakefile @@ -1,4 +1,4 @@ -# $Id: GNUmakefile,v 1.3 1998-07-28 19:17:50 d3e129 Exp $ +# $Id$ include ../../src/config/makefile.h diff --git a/contrib/javasupport/INSTALL b/contrib/javasupport/INSTALL index 0a04b61fc2..4294b05d4b 100644 --- a/contrib/javasupport/INSTALL +++ b/contrib/javasupport/INSTALL @@ -1,4 +1,4 @@ -# $Id: INSTALL,v 1.2 1999-08-02 18:16:28 d3e129 Exp $ +# $Id$ To run the java support tool you need to have java 1.1.X since the tool is based on that version of the java.awt event handling. This tool diff --git a/contrib/javasupport/NWChem.java b/contrib/javasupport/NWChem.java index 0ed1b3d012..d2f378039c 100644 --- a/contrib/javasupport/NWChem.java +++ b/contrib/javasupport/NWChem.java @@ -1,4 +1,4 @@ -// $Id: NWChem.java,v 1.6 1999-08-02 19:44:45 d3e129 Exp $ +// $Id$ import java.net.Socket; import java.io.*; diff --git a/contrib/javasupport/notsent.java b/contrib/javasupport/notsent.java index e0064a044b..36253236c0 100644 --- a/contrib/javasupport/notsent.java +++ b/contrib/javasupport/notsent.java @@ -1,4 +1,4 @@ -// $Id: notsent.java,v 1.2 1998-05-29 21:29:08 d3e129 Exp $ +// $Id$ import java.awt.*; import java.awt.event.*; diff --git a/contrib/javasupport/report_nwchem b/contrib/javasupport/report_nwchem index 90c1a49903..9fe2485744 100644 --- a/contrib/javasupport/report_nwchem +++ b/contrib/javasupport/report_nwchem @@ -1,6 +1,6 @@ #!/bin/csh # -# $Id: report_nwchem,v 1.1 1998-07-28 19:53:41 d3e129 Exp $ +# $Id$ # if (!($?DISPLAY)) then echo " DISPLAY is not set and you need X capability to use the java report tool" diff --git a/contrib/javasupport/submitted.java b/contrib/javasupport/submitted.java index 40d9840453..fd4691261c 100644 --- a/contrib/javasupport/submitted.java +++ b/contrib/javasupport/submitted.java @@ -1,4 +1,4 @@ -// $Id: submitted.java,v 1.3 1998-05-29 21:29:08 d3e129 Exp $ +// $Id$ import java.awt.*; import java.awt.event.*; diff --git a/contrib/javasupport/waiting.java b/contrib/javasupport/waiting.java index 201f5ecefb..e62e98500d 100644 --- a/contrib/javasupport/waiting.java +++ b/contrib/javasupport/waiting.java @@ -1,7 +1,7 @@ import java.awt.*; import java.awt.event.*; -// $Id: waiting.java,v 1.2 1998-05-29 21:29:09 d3e129 Exp $ +// $Id$ public class waiting extends Frame { Label label1; diff --git a/contrib/javasupport/whichjava.java b/contrib/javasupport/whichjava.java index 119385ff37..ab288ac3fa 100644 --- a/contrib/javasupport/whichjava.java +++ b/contrib/javasupport/whichjava.java @@ -1,4 +1,4 @@ -// $Id: whichjava.java,v 1.1 1998-03-17 07:55:30 d3e129 Exp $ +// $Id$ public class whichjava implements Runnable { public static void main(String[] args){ diff --git a/contrib/mov2asc/Makefile b/contrib/mov2asc/Makefile index 6f36b75a2e..041fabf4b5 100644 --- a/contrib/mov2asc/Makefile +++ b/contrib/mov2asc/Makefile @@ -1,5 +1,5 @@ # Makefile for movecs <--> ASCII translators -# $Id: Makefile,v 1.8 2006-03-17 23:02:59 edo Exp $ +# $Id$ # Tested on KSR, Cray-T3D # Requires NWCHEM_TARGET to be set. diff --git a/contrib/mov2asc/README b/contrib/mov2asc/README index 1ba005c835..5d332c5a81 100644 --- a/contrib/mov2asc/README +++ b/contrib/mov2asc/README @@ -1,4 +1,4 @@ -$Id: README,v 1.3 2006-01-26 17:26:02 bert Exp $ +$Id$ This is a pair of programs that translate between NWChem movecs files in the usual binary format and an ASCII form that can be moved to diff --git a/contrib/mov2asc/asc2mov.F b/contrib/mov2asc/asc2mov.F index fcba012505..396b07b8b1 100644 --- a/contrib/mov2asc/asc2mov.F +++ b/contrib/mov2asc/asc2mov.F @@ -8,7 +8,7 @@ Program asc2mov C guess_nbf must be at least as large as the NBF in the file to be C translated. C -C $Id: asc2mov.F,v 1.8 2006-03-17 23:02:59 edo Exp $ +C $Id$ C #include "mafdecls.fh" c diff --git a/contrib/mov2asc/mov2asc.F b/contrib/mov2asc/mov2asc.F index 65ed77a103..e0300967f6 100644 --- a/contrib/mov2asc/mov2asc.F +++ b/contrib/mov2asc/mov2asc.F @@ -8,7 +8,7 @@ Program mov2asc C guess_nbf must be at least as large as the NBF in the file to be C translated. C -C $Id: mov2asc.F,v 1.7 2006-03-17 23:02:59 edo Exp $ +C $Id$ C #include "mafdecls.fh" c diff --git a/contrib/nqe/nqenw b/contrib/nqe/nqenw index ea82844271..5b5929b32c 100755 --- a/contrib/nqe/nqenw +++ b/contrib/nqe/nqenw @@ -1,6 +1,6 @@ #!/bin/csh # -# $Id: nqenw,v 1.5 1999-06-10 06:03:43 d3e129 Exp $ +# $Id$ # onintr interrupted diff --git a/contrib/pbs/pbsnw b/contrib/pbs/pbsnw index 7ca7141b45..402f475a5e 100755 --- a/contrib/pbs/pbsnw +++ b/contrib/pbs/pbsnw @@ -11,7 +11,7 @@ # Ames, IA 50011 # rickyk@ameslab.gov # -# $Id: pbsnw,v 1.1 2000-02-23 21:52:27 d3e129 Exp $ +# $Id$ # onintr interrupted diff --git a/contrib/python/Gnuplot.py b/contrib/python/Gnuplot.py index 862e33165f..2645cc5321 100644 --- a/contrib/python/Gnuplot.py +++ b/contrib/python/Gnuplot.py @@ -1,5 +1,5 @@ #!/usr/local/bin/python -t -# $Id: Gnuplot.py,v 1.1 2000-08-10 22:43:07 d3g681 Exp $ +# $Id$ # Gnuplot.py -- A pipe-based interface to the gnuplot plotting program. diff --git a/contrib/rasmolmovie/freq.gifs b/contrib/rasmolmovie/freq.gifs index df5c6c4d23..4a3397aa04 100755 --- a/contrib/rasmolmovie/freq.gifs +++ b/contrib/rasmolmovie/freq.gifs @@ -1,6 +1,6 @@ #!/bin/csh # -# $Id: freq.gifs,v 1.1 1999-07-26 22:25:01 d3e129 Exp $ +# $Id$ # # # script to generate all vibrational mode gifs using the rasmolmovie script diff --git a/contrib/seetex/GNUmakefile b/contrib/seetex/GNUmakefile index 8f695965ad..3ba9349884 100644 --- a/contrib/seetex/GNUmakefile +++ b/contrib/seetex/GNUmakefile @@ -1,4 +1,4 @@ -# $Id: GNUmakefile,v 1.4 1997-05-28 07:07:48 d3e129 Exp $ +# $Id$ OBJ = seetex.o diff --git a/contrib/seetex/sample.F b/contrib/seetex/sample.F index 6110ee433a..0fd4a9dd0d 100644 --- a/contrib/seetex/sample.F +++ b/contrib/seetex/sample.F @@ -9,7 +9,7 @@ logical function cando_sp(basisin,ish,jsh) c:tex-\end{verbatim} implicit none -c $Id: sample.F,v 1.1 1996-07-02 23:02:15 d3e129 Exp $ +c $Id$ c c this routine does not check the shell and int_init c because it is only called by routines that do this. diff --git a/contrib/seetex/seetex.c b/contrib/seetex/seetex.c index 13043abe30..cfef5dcf74 100644 --- a/contrib/seetex/seetex.c +++ b/contrib/seetex/seetex.c @@ -1,5 +1,5 @@ /*---------------------------------------------------------*\ -$Id: seetex.c,v 1.5 1997-05-28 07:24:52 d3e129 Exp $ +$Id$ \*---------------------------------------------------------*/ /*------------------------------------------------------------*\ diff --git a/contrib/seetex/seetex.h b/contrib/seetex/seetex.h index f2549ccfcf..f089314cbf 100644 --- a/contrib/seetex/seetex.h +++ b/contrib/seetex/seetex.h @@ -1,5 +1,5 @@ /*---------------------------------------------------------*\ -$Id: seetex.h,v 1.3 1996-09-25 00:20:27 d3e129 Exp $ +$Id$ seetex.h include file for seetex diff --git a/contrib/socrates/GNUmakefile b/contrib/socrates/GNUmakefile index 6d91cf2dcf..af1ed4d4e3 100644 --- a/contrib/socrates/GNUmakefile +++ b/contrib/socrates/GNUmakefile @@ -1,4 +1,4 @@ -#$Id: GNUmakefile,v 1.0 2009-21-06 18:37:00 jhammond Exp $ +#$Id$ SUBDIRS = diff --git a/contrib/socrates/socrates_driver.F b/contrib/socrates/socrates_driver.F index 4da2900e09..46bf630d53 100644 --- a/contrib/socrates/socrates_driver.F +++ b/contrib/socrates/socrates_driver.F @@ -13,7 +13,7 @@ c===============================================================c logical function socrates_driver(rtdb) c -c $Id: socrates_driver.F,v 1.0 2009/21/06 23:48:58 jhammond Exp $ +c $Id$ c implicit none #include "mafdecls.fh" diff --git a/contrib/socrates/socrates_input.F b/contrib/socrates/socrates_input.F index 2ed203bac5..47dede52b4 100644 --- a/contrib/socrates/socrates_input.F +++ b/contrib/socrates/socrates_input.F @@ -13,7 +13,7 @@ c===============================================================c logical function socrates_input(rtdb) c -c $Id: socrates_input.F,v 1.0 2009/21/06 23:48:58 jhammond Exp $ +c $Id$ c implicit none #include "inp.fh" diff --git a/contrib/socrates/socrates_scf_ga.F b/contrib/socrates/socrates_scf_ga.F index 638a381083..d8237a0f03 100644 --- a/contrib/socrates/socrates_scf_ga.F +++ b/contrib/socrates/socrates_scf_ga.F @@ -13,7 +13,7 @@ c===============================================================c logical function socrates_scf_ga(rtdb,geom,num_alfa,num_beta) c -c $Id: socrates_scf_ga.F,v 1.0 2009/21/06 23:48:58 jhammond Exp $ +c $Id$ c implicit none #include "mafdecls.fh" diff --git a/contrib/svn_expand_Id b/contrib/svn_expand_Id index 9c947a91d9..c5242e3ee7 100755 --- a/contrib/svn_expand_Id +++ b/contrib/svn_expand_Id @@ -24,6 +24,12 @@ # a following commit. So every time this script is run only new files or files # which have newly acquired the Id keyword will be modified and checked in. # +# ** Note from experience: For this kind of modification SVN (version 1.6.2 +# (r37639)) needs about 1MB of memory per file. So checking 1000 files in at +# once requires 1GB of memory. So if many files have been modified you may +# need to check the changes in in batches, rather than attempting to check +# everything in at once. +# # To address all files within NWChem this script has to be run in the # directory indicated by the NWCHEM_TOP environment variable. I.e. it finds # files only in the directory from where it is run and all sub-directories. diff --git a/contrib/uncontract b/contrib/uncontract index 9b22e7f89d..19e1ce6562 100755 --- a/contrib/uncontract +++ b/contrib/uncontract @@ -16,7 +16,7 @@ # # Library references are left unmodified. # -# $Id: uncontract,v 1.1 1995-06-24 22:32:42 gg502 Exp $ +# $Id$ ############################################################################### $last_atom = "ZZ"; $in_basis = 0; diff --git a/contrib/update_look b/contrib/update_look index 70ee1ea5d8..1e73025c63 100755 --- a/contrib/update_look +++ b/contrib/update_look @@ -4,7 +4,7 @@ # # rak pnl/94 # -# $Id: update_look,v 1.5 1998-09-14 23:14:31 d3e129 Exp $ +# $Id$ # # if (! $?CVSROOT) then diff --git a/doc/distribute/distribute.tex b/doc/distribute/distribute.tex index 29d107e094..f816637893 100644 --- a/doc/distribute/distribute.tex +++ b/doc/distribute/distribute.tex @@ -1,4 +1,4 @@ -% $Id: distribute.tex,v 1.1 1998-03-06 23:25:53 d3e129 Exp $ +% $Id$ \documentstyle[fullpage,12pt,fleqn]{article} \setlength{\parskip}{6pt} diff --git a/doc/prog/codingsty.tex b/doc/prog/codingsty.tex index 0de31484dd..524f5352f9 100644 --- a/doc/prog/codingsty.tex +++ b/doc/prog/codingsty.tex @@ -311,7 +311,7 @@ \subsection{Comments} \begin{verbatim} subroutine sym_symmetrize(geom, basis, odensity, g_a) -C$Id: codingsty.tex,v 1.4 1998-12-15 16:22:36 d35162 Exp $ +C$Id$ implicit none integer geom, basis ! [input] Handles integer g_a ! [input] Handle to input/output GA diff --git a/doc/prog/html.sty b/doc/prog/html.sty index 6fc1086066..8e6a7e3cbd 100644 --- a/doc/prog/html.sty +++ b/doc/prog/html.sty @@ -1,5 +1,5 @@ % -% $Id: html.sty,v 1.1 2003-12-12 17:07:09 bert Exp $ +% $Id$ % LaTeX2HTML Version 96.2 : html.sty % % This file contains definitions of LaTeX commands which are diff --git a/doc/prog/int_api_spec.tex b/doc/prog/int_api_spec.tex index 48cc1f02d3..99c7939316 100644 --- a/doc/prog/int_api_spec.tex +++ b/doc/prog/int_api_spec.tex @@ -1,5 +1,5 @@ % -% $Id: int_api_spec.tex,v 1.7 2008-10-14 15:45:14 jhammond Exp $ +% $Id$ % % %-----------------------------------------------------------------% diff --git a/doc/prog/integral_api.tex b/doc/prog/integral_api.tex index 831d71e8c6..783301522c 100644 --- a/doc/prog/integral_api.tex +++ b/doc/prog/integral_api.tex @@ -1,5 +1,5 @@ % -% $Id: integral_api.tex,v 1.8 2002-04-11 15:05:56 windus Exp $ +% $Id$ % % %-----------------------------------------------------------------% diff --git a/doc/prog/prog.tex b/doc/prog/prog.tex index 2f5f763fbf..f52eef8fea 100644 --- a/doc/prog/prog.tex +++ b/doc/prog/prog.tex @@ -1,4 +1,4 @@ -% $Id: prog.tex,v 1.15 2008-08-18 16:10:34 d3p307 Exp $ +% $Id$ \documentstyle[fullpage,12pt,fleqn]{book} \setlength{\parskip}{6pt} diff --git a/doc/prog/progpdf.tex b/doc/prog/progpdf.tex index 8ecf4cefe3..c3609ee900 100644 --- a/doc/prog/progpdf.tex +++ b/doc/prog/progpdf.tex @@ -1,4 +1,4 @@ -% $Id: progpdf.tex,v 1.1 2003-12-12 17:07:09 bert Exp $ +% $Id$ \input{top} \newif\ifpdf diff --git a/doc/prog/top.tex b/doc/prog/top.tex index a648b69e72..72b33226f9 100644 --- a/doc/prog/top.tex +++ b/doc/prog/top.tex @@ -1,4 +1,4 @@ -% $Id: top.tex,v 1.1 2003-12-12 17:07:09 bert Exp $ +% $Id$ \documentclass[10pt,fleqn]{book} \hbadness=100000 diff --git a/doc/update_www b/doc/update_www index 9517b51135..99515c9f0e 100755 --- a/doc/update_www +++ b/doc/update_www @@ -1,6 +1,6 @@ #!/bin/csh # -# $Id: update_www,v 1.7 2003-07-10 00:53:17 mhackler Exp $ +# $Id$ # Script to automate updating of web pages for the # user and programmers manuals. diff --git a/doc/user/GNUmakefile b/doc/user/GNUmakefile index d43e5f14be..f04592f911 100644 --- a/doc/user/GNUmakefile +++ b/doc/user/GNUmakefile @@ -1,4 +1,4 @@ -# $Id: GNUmakefile,v 1.21 2004-04-30 01:29:24 edo Exp $ +# $Id$ SOURCE = ack.tex execution.tex mcscf.tex sample.tex symex.tex \ basis.tex fourindex.tex scf.tex top-level.tex \ diff --git a/doc/user/ack.tex b/doc/user/ack.tex index 5641c248b5..f275bc4b8c 100644 --- a/doc/user/ack.tex +++ b/doc/user/ack.tex @@ -1,5 +1,5 @@ % -% $Id: ack.tex,v 1.4 2006-09-01 15:51:39 d3p307 Exp $ +% $Id$ % This work was supported by funds from the Environmental and Molecular diff --git a/doc/user/analysis.tex b/doc/user/analysis.tex index fd1d385358..da13dc2063 100644 --- a/doc/user/analysis.tex +++ b/doc/user/analysis.tex @@ -1,5 +1,5 @@ % -% $Id: analysis.tex,v 1.33 2006-09-28 14:36:53 d3j191 Exp $ +% $Id$ % \label{sec:analysis} \def\bmu{\mbox{\boldmath $\mu$}} diff --git a/doc/user/basis.tex b/doc/user/basis.tex index d35a9b1f3e..2250c0a142 100644 --- a/doc/user/basis.tex +++ b/doc/user/basis.tex @@ -1,5 +1,5 @@ % -% $Id: basis.tex,v 1.30 2004-05-17 20:29:46 pollack Exp $ +% $Id$ % \label{sec:basis} diff --git a/doc/user/ccsd.tex b/doc/user/ccsd.tex index 164883140e..748ba70095 100644 --- a/doc/user/ccsd.tex +++ b/doc/user/ccsd.tex @@ -1,5 +1,5 @@ % -% $Id: ccsd.tex,v 1.17 2004-04-22 04:50:28 edo Exp $ +% $Id$ % \label{sec:ccsd} diff --git a/doc/user/cosmo.tex b/doc/user/cosmo.tex index 835ae104b2..07a980d1d2 100644 --- a/doc/user/cosmo.tex +++ b/doc/user/cosmo.tex @@ -1,7 +1,7 @@ % -% $Id: cosmo.tex,v 1.7 2004-04-22 04:50:28 edo Exp $ +% $Id$ % -% $Id: cosmo.tex,v 1.7 2004-04-22 04:50:28 edo Exp $ +% $Id$ \label{sec:cosmo} COSMO is the continuum solvation `COnductor-like Screening MOdel' diff --git a/doc/user/dft.tex b/doc/user/dft.tex index aa24c8aa60..0cb48f089e 100644 --- a/doc/user/dft.tex +++ b/doc/user/dft.tex @@ -1,5 +1,5 @@ % -% $Id: dft.tex,v 1.97 2008-12-07 16:12:29 jhammond Exp $ +% $Id$ % \label{sec:dft} diff --git a/doc/user/disclaimer.tex b/doc/user/disclaimer.tex index f1c2ab3b55..5ac6fc87f4 100644 --- a/doc/user/disclaimer.tex +++ b/doc/user/disclaimer.tex @@ -1,5 +1,5 @@ % -% $Id: disclaimer.tex,v 1.3 2006-09-01 15:52:12 d3p307 Exp $ +% $Id$ % This material was prepared as an account of work sponsored by an agency of the diff --git a/doc/user/dntmc.tex b/doc/user/dntmc.tex index d4661e5fc3..f51ba729a4 100644 --- a/doc/user/dntmc.tex +++ b/doc/user/dntmc.tex @@ -1,6 +1,6 @@ %\chapter{Dynamical Nucleation Theory Monte Carlo} -% $Id: dntmc.tex,v 1.2 2008-07-18 15:11:29 windus Exp $ +% $Id$ % % Updated 6/24/08 for new version (lcrosby) diff --git a/doc/user/dplot.tex b/doc/user/dplot.tex index 58a454e6f2..2ae2dd0a11 100644 --- a/doc/user/dplot.tex +++ b/doc/user/dplot.tex @@ -1,5 +1,5 @@ % -% $Id: dplot.tex,v 1.14 2009-03-05 23:46:55 d3p975 Exp $ +% $Id$ % \label{sec:dplot} \begin{verbatim} diff --git a/doc/user/driver.tex b/doc/user/driver.tex index e177c59c76..e3614f7c03 100644 --- a/doc/user/driver.tex +++ b/doc/user/driver.tex @@ -1,5 +1,5 @@ % -% $Id: driver.tex,v 1.15 2004-05-20 01:21:27 edo Exp $ +% $Id$ % \label{sec:driver} diff --git a/doc/user/ecp.tex b/doc/user/ecp.tex index 96f62a56aa..e7f8ce5a17 100644 --- a/doc/user/ecp.tex +++ b/doc/user/ecp.tex @@ -1,5 +1,5 @@ % -% $Id: ecp.tex,v 1.25 2007-11-26 19:19:52 bert Exp $ +% $Id$ % \label{sec:ecp} \def\ell{l} diff --git a/doc/user/esp.tex b/doc/user/esp.tex index daa38b0c55..cccb78717a 100644 --- a/doc/user/esp.tex +++ b/doc/user/esp.tex @@ -1,5 +1,5 @@ % -% $Id: esp.tex,v 1.9 2004-04-22 04:50:28 edo Exp $ +% $Id$ % \label{sec:esp} diff --git a/doc/user/etrans.tex b/doc/user/etrans.tex index d0c797667b..6edd536e85 100644 --- a/doc/user/etrans.tex +++ b/doc/user/etrans.tex @@ -1,5 +1,5 @@ % -% $Id: etrans.tex,v 1.10 2004-12-18 00:58:47 bert Exp $ +% $Id$ % \label{sec:etrans} diff --git a/doc/user/execution.tex b/doc/user/execution.tex index 714ddca362..cd7ebe577e 100644 --- a/doc/user/execution.tex +++ b/doc/user/execution.tex @@ -1,5 +1,5 @@ % -% $Id: execution.tex,v 1.15 2004-04-22 04:50:28 edo Exp $ +% $Id$ % %A more complete description should be available at %\begin{verbatim} diff --git a/doc/user/fileformats.tex b/doc/user/fileformats.tex index 9a1987f981..39aab36e03 100644 --- a/doc/user/fileformats.tex +++ b/doc/user/fileformats.tex @@ -1,5 +1,5 @@ % -% $Id: fileformats.tex,v 1.8 2007-12-28 18:55:48 bylaska Exp $ +% $Id$ % \label{sec:formats} \section {Format fragment file} diff --git a/doc/user/fourindex.tex b/doc/user/fourindex.tex index 5d9fc3a61f..60f9ea0e0d 100644 --- a/doc/user/fourindex.tex +++ b/doc/user/fourindex.tex @@ -1,5 +1,5 @@ % -% $Id: fourindex.tex,v 1.6 2004-04-22 04:50:28 edo Exp $ +% $Id$ % \label{sec:fourindex} diff --git a/doc/user/functionality.tex b/doc/user/functionality.tex index 5acf9cb71c..3bc301dc0d 100644 --- a/doc/user/functionality.tex +++ b/doc/user/functionality.tex @@ -1,5 +1,5 @@ % -% $Id: functionality.tex,v 1.30 2007-12-10 20:39:27 niri Exp $ +% $Id$ % \label{sec:functionality} diff --git a/doc/user/geometry.tex b/doc/user/geometry.tex index 49a3f3be29..e41a01854f 100644 --- a/doc/user/geometry.tex +++ b/doc/user/geometry.tex @@ -1,5 +1,5 @@ % -% $Id: geometry.tex,v 1.48 2006-03-20 22:25:15 edo Exp $ +% $Id$ % \label{sec:geom} diff --git a/doc/user/getstart.tex b/doc/user/getstart.tex index d0723d8873..41775da3b1 100644 --- a/doc/user/getstart.tex +++ b/doc/user/getstart.tex @@ -1,5 +1,5 @@ % -% $Id: getstart.tex,v 1.15 2004-04-22 04:50:28 edo Exp $ +% $Id$ % \label{sec:getstart} diff --git a/doc/user/hess.tex b/doc/user/hess.tex index 51d3bcc95a..950b609589 100644 --- a/doc/user/hess.tex +++ b/doc/user/hess.tex @@ -1,4 +1,4 @@ -% $Id: hess.tex,v 1.2 2003-02-20 01:33:07 bert Exp $ +% $Id$ \label{sec:hess} This section relates to the computation of analytic hessians which diff --git a/doc/user/html.sty b/doc/user/html.sty index a29abd53fd..4bc0d55c39 100644 --- a/doc/user/html.sty +++ b/doc/user/html.sty @@ -1,5 +1,5 @@ % -% $Id: html.sty,v 1.3 2000-02-04 21:48:31 edo Exp $ +% $Id$ % LaTeX2HTML Version 96.2 : html.sty % % This file contains definitions of LaTeX commands which are diff --git a/doc/user/interface.tex b/doc/user/interface.tex index 7f5f8329d2..bd24041849 100644 --- a/doc/user/interface.tex +++ b/doc/user/interface.tex @@ -1,4 +1,4 @@ -% $Id: interface.tex,v 1.16 2007-03-22 22:18:57 windus Exp $ +% $Id$ \label{sec:interface} NWChem has interfaces to several different packages which are listed below. diff --git a/doc/user/intro.tex b/doc/user/intro.tex index f2f30db647..b393d6a652 100644 --- a/doc/user/intro.tex +++ b/doc/user/intro.tex @@ -1,5 +1,5 @@ % -% $Id: intro.tex,v 1.29 2004-05-25 16:13:56 edo Exp $ +% $Id$ % \label{sec:intro} diff --git a/doc/user/knownbas.tex b/doc/user/knownbas.tex index 7e62c13cf5..4a5c6cdb86 100644 --- a/doc/user/knownbas.tex +++ b/doc/user/knownbas.tex @@ -1,5 +1,5 @@ % -% $Id: knownbas.tex,v 1.20 2006-09-01 15:52:45 d3p307 Exp $ +% $Id$ % \label{sec:knownbasis} diff --git a/doc/user/main.tex b/doc/user/main.tex index 7c77a7157d..1bb1c5015e 100644 --- a/doc/user/main.tex +++ b/doc/user/main.tex @@ -1,4 +1,4 @@ -% $Id: main.tex,v 1.28 2008-08-18 16:10:13 d3p307 Exp $ +% $Id$ \setlength{\parskip}{6pt} diff --git a/doc/user/mcscf.tex b/doc/user/mcscf.tex index 6f77bcddf6..329b30d922 100644 --- a/doc/user/mcscf.tex +++ b/doc/user/mcscf.tex @@ -1,5 +1,5 @@ % -% $Id: mcscf.tex,v 1.12 2004-04-22 04:50:28 edo Exp $ +% $Id$ % \label{sec:mcscf} diff --git a/doc/user/mepgs.tex b/doc/user/mepgs.tex index 822d97f3f9..20ef71528e 100644 --- a/doc/user/mepgs.tex +++ b/doc/user/mepgs.tex @@ -1,5 +1,5 @@ % -% $Id: driver.tex,v 1.15 2004-05-20 01:21:27 edo Exp $ +% $Id$ % \label{sec:mepgs} diff --git a/doc/user/mp2.tex b/doc/user/mp2.tex index a01e25d5eb..9354f5613a 100644 --- a/doc/user/mp2.tex +++ b/doc/user/mp2.tex @@ -1,5 +1,5 @@ % -% $Id: mp2.tex,v 1.22 2004-04-22 06:00:01 edo Exp $ +% $Id$ % \label{sec:mp2} \label{sec:rimp2} diff --git a/doc/user/nwarch.tex b/doc/user/nwarch.tex index e97777f5a0..d551428975 100644 --- a/doc/user/nwarch.tex +++ b/doc/user/nwarch.tex @@ -1,5 +1,5 @@ % -% $Id: nwarch.tex,v 1.7 2004-04-22 04:50:28 edo Exp $ +% $Id$ % \label{sec:arch} diff --git a/doc/user/nwargos.tex b/doc/user/nwargos.tex index d25fee39b5..da4f6eb708 100644 --- a/doc/user/nwargos.tex +++ b/doc/user/nwargos.tex @@ -1,5 +1,5 @@ % -% $Id: nwargos.tex,v 1.47 2004-04-22 04:50:28 edo Exp $ +% $Id$ % \label{sec:nwARGOS} %\newcommand{\mc}[3]{\multicolumn{#1}{#2}{#3}} diff --git a/doc/user/nwmd.tex b/doc/user/nwmd.tex index b768217110..faa541e78a 100644 --- a/doc/user/nwmd.tex +++ b/doc/user/nwmd.tex @@ -1,5 +1,5 @@ % -% $Id: nwmd.tex,v 1.28 2006-09-28 14:49:18 d3j191 Exp $ +% $Id$ % \label{sec:nwmd} %\newcommand{\mc}[3]{\multicolumn{#1}{#2}{#3}} diff --git a/doc/user/oniom.tex b/doc/user/oniom.tex index 71672db8ee..24603dc2eb 100644 --- a/doc/user/oniom.tex +++ b/doc/user/oniom.tex @@ -1,5 +1,5 @@ % -% $Id: oniom.tex,v 1.5 2004-04-22 04:50:28 edo Exp $ +% $Id$ % \label{sec:oniom} diff --git a/doc/user/prepare.tex b/doc/user/prepare.tex index 8166589c52..1d09556b00 100644 --- a/doc/user/prepare.tex +++ b/doc/user/prepare.tex @@ -1,5 +1,5 @@ % -% $Id: prepare.tex,v 1.38 2006-09-28 14:49:18 d3j191 Exp $ +% $Id$ % \label{sec:prepare} \def\bmu{\mbox{\boldmath $\mu$}} diff --git a/doc/user/property.tex b/doc/user/property.tex index 29032298d9..f1af03f9f7 100644 --- a/doc/user/property.tex +++ b/doc/user/property.tex @@ -1,5 +1,5 @@ % -% $Id: property.tex,v 1.24 2004-12-20 20:00:30 bert Exp $ +% $Id$ % \label{sec:property} diff --git a/doc/user/psfig.tex b/doc/user/psfig.tex index 1153343ea2..b02d6a747d 100644 --- a/doc/user/psfig.tex +++ b/doc/user/psfig.tex @@ -1,5 +1,5 @@ % -% $Id: psfig.tex,v 1.2 2004-04-22 04:50:28 edo Exp $ +% $Id$ % % copied from dvips-5.515, Apr 5 1993, Rik Littlefield % Psfig/TeX diff --git a/doc/user/pspw.tex b/doc/user/pspw.tex index 8cae31db36..b6d23c2189 100644 --- a/doc/user/pspw.tex +++ b/doc/user/pspw.tex @@ -1,5 +1,5 @@ % -% $Id: pspw.tex,v 1.44 2007-12-21 19:43:30 bylaska Exp $ +% $Id$ % \label{sec:pspw} diff --git a/doc/user/python.tex b/doc/user/python.tex index b5b5e85d74..9f1217c570 100644 --- a/doc/user/python.tex +++ b/doc/user/python.tex @@ -1,5 +1,5 @@ % -% $Id: python.tex,v 1.8 2004-04-22 04:50:29 edo Exp $ +% $Id$ % \label{sec:python} diff --git a/doc/user/qmmm.tex b/doc/user/qmmm.tex index c67bb2c705..9422c38c04 100644 --- a/doc/user/qmmm.tex +++ b/doc/user/qmmm.tex @@ -1,4 +1,4 @@ -% $Id: qmmm.tex,v 1.15 2005-12-20 01:50:48 marat Exp $ +% $Id$ \label{sec:qmmm} diff --git a/doc/user/rel.tex b/doc/user/rel.tex index e9212c286d..9cd0425a86 100644 --- a/doc/user/rel.tex +++ b/doc/user/rel.tex @@ -1,5 +1,5 @@ % -% $Id: rel.tex,v 1.17 2007-12-10 20:39:27 niri Exp $ +% $Id$ % \label{sec:rel} All methods which include treatment of relativistic effects are ultimately diff --git a/doc/user/sample.tex b/doc/user/sample.tex index b0c6b48606..83ed0d8f09 100644 --- a/doc/user/sample.tex +++ b/doc/user/sample.tex @@ -1,5 +1,5 @@ % -% $Id: sample.tex,v 1.11 2004-04-22 04:50:29 edo Exp $ +% $Id$ % \label{sec:sample} \section{Water SCF calculation and geometry optimization in a 6-31g basis} diff --git a/doc/user/scf.tex b/doc/user/scf.tex index 769e02244e..675876bd16 100644 --- a/doc/user/scf.tex +++ b/doc/user/scf.tex @@ -1,5 +1,5 @@ % -% $Id: scf.tex,v 1.53 2004-04-22 04:50:29 edo Exp $ +% $Id$ % \label{sec:scf} diff --git a/doc/user/scfgrad.tex b/doc/user/scfgrad.tex index ced90f8a70..f5a7c5c63a 100644 --- a/doc/user/scfgrad.tex +++ b/doc/user/scfgrad.tex @@ -1,5 +1,5 @@ % -% $Id: scfgrad.tex,v 1.10 2004-04-22 04:50:29 edo Exp $ +% $Id$ % \label{sec:scfgrad} diff --git a/doc/user/selci.tex b/doc/user/selci.tex index ee7cab1505..9fd1a8f6fb 100644 --- a/doc/user/selci.tex +++ b/doc/user/selci.tex @@ -1,5 +1,5 @@ % -% $Id: selci.tex,v 1.16 2004-04-22 04:50:29 edo Exp $ +% $Id$ % \label{sec:selci} diff --git a/doc/user/sodft.tex b/doc/user/sodft.tex index 3b52fa242a..dc1dd357e1 100644 --- a/doc/user/sodft.tex +++ b/doc/user/sodft.tex @@ -1,5 +1,5 @@ % -% $Id: sodft.tex,v 1.8 2005-09-06 22:49:41 windus Exp $ +% $Id$ % \label{sec:sodft} diff --git a/doc/user/stepper.tex b/doc/user/stepper.tex index fca6c21ca7..6b4852b7a4 100644 --- a/doc/user/stepper.tex +++ b/doc/user/stepper.tex @@ -1,5 +1,5 @@ % -% $Id: stepper.tex,v 1.15 2002-02-06 19:38:53 sohirata Exp $ +% $Id$ % \label{sec:stepper} diff --git a/doc/user/symex.tex b/doc/user/symex.tex index b2450b40cb..7b4bf9ff0c 100644 --- a/doc/user/symex.tex +++ b/doc/user/symex.tex @@ -1,5 +1,5 @@ % -% $Id: symex.tex,v 1.10 2004-04-22 04:50:29 edo Exp $ +% $Id$ % \label{symexamples} diff --git a/doc/user/tce.tex b/doc/user/tce.tex index 843ecc495b..a7cd746476 100644 --- a/doc/user/tce.tex +++ b/doc/user/tce.tex @@ -1,5 +1,5 @@ % -% $Id: tce.tex,v 1.14 2009-03-05 23:44:54 d3p975 Exp $ +% $Id$ % \label{sec:tce} diff --git a/doc/user/tddft.tex b/doc/user/tddft.tex index cf1ead8abf..3bcf978c25 100644 --- a/doc/user/tddft.tex +++ b/doc/user/tddft.tex @@ -1,5 +1,5 @@ % -% $Id: tddft.tex,v 1.5 2004-05-17 20:05:57 edo Exp $ +% $Id$ % \label{sec:tddft} diff --git a/doc/user/titlepage.tex b/doc/user/titlepage.tex index 7035ab3e9b..ecc5873aa9 100644 --- a/doc/user/titlepage.tex +++ b/doc/user/titlepage.tex @@ -1,5 +1,5 @@ % -% $Id: titlepage.tex,v 1.8 2004-05-24 23:09:33 edo Exp $ +% $Id$ % \begin{titlepage} diff --git a/doc/user/top-level.tex b/doc/user/top-level.tex index 46a1ee521b..a9768a8e2c 100644 --- a/doc/user/top-level.tex +++ b/doc/user/top-level.tex @@ -1,5 +1,5 @@ % -% $Id: top-level.tex,v 1.66 2006-12-01 22:19:17 edo Exp $ +% $Id$ % \label{sec:toplevel} diff --git a/doc/user/top.tex b/doc/user/top.tex index 21e7bc49c6..72b33226f9 100644 --- a/doc/user/top.tex +++ b/doc/user/top.tex @@ -1,4 +1,4 @@ -% $Id: top.tex,v 1.1 2000-06-20 01:11:22 edo Exp $ +% $Id$ \documentclass[10pt,fleqn]{book} \hbadness=100000 diff --git a/doc/user/tropt.tex b/doc/user/tropt.tex index dd595371cb..2f006f0bda 100644 --- a/doc/user/tropt.tex +++ b/doc/user/tropt.tex @@ -1,5 +1,5 @@ % -% $Id: driver.tex,v 1.15 2004-05-20 01:21:27 edo Exp $ +% $Id$ % \label{sec:tropt} diff --git a/doc/user/user.tex b/doc/user/user.tex index ff9b40d0a1..25d1f9568d 100644 --- a/doc/user/user.tex +++ b/doc/user/user.tex @@ -1,4 +1,4 @@ -% $Id: user.tex,v 1.49 2000-10-14 00:54:07 edo Exp $ +% $Id$ \input{top} \usepackage[dvips]{graphicx} \begin{htmlonly} diff --git a/doc/user/userpdf.tex b/doc/user/userpdf.tex index 181393306f..cc02cd307f 100644 --- a/doc/user/userpdf.tex +++ b/doc/user/userpdf.tex @@ -1,4 +1,4 @@ -% $Id: userpdf.tex,v 1.1 2000-06-20 01:11:22 edo Exp $ +% $Id$ \input{top} \newif\ifpdf diff --git a/doc/user/vib.tex b/doc/user/vib.tex index cfa79e493a..2faf42d2d9 100644 --- a/doc/user/vib.tex +++ b/doc/user/vib.tex @@ -1,4 +1,4 @@ -% $Id: vib.tex,v 1.14 2005-08-16 23:33:53 windus Exp $ +% $Id$ \label{sec:vib} The nuclear hessian which is used to compute the vibrational diff --git a/doc/user/vscf.tex b/doc/user/vscf.tex index a0d7772453..672ee391c9 100644 --- a/doc/user/vscf.tex +++ b/doc/user/vscf.tex @@ -1,5 +1,5 @@ % -% $Id: vscf.tex,v 1.2 2007-04-06 16:21:09 windus Exp $ +% $Id$ % \label{sec:vscf} diff --git a/doc/write_frames.pl b/doc/write_frames.pl index ad9d163d84..f2a06a5ae6 100755 --- a/doc/write_frames.pl +++ b/doc/write_frames.pl @@ -7,7 +7,7 @@ # # 3/19/98 # -# $Id: write_frames.pl,v 1.7 2004-04-17 02:40:00 edo Exp $ +# $Id$ # # remove nwchem banner stuff 3/23/98 # diff --git a/examples/rimp2/README b/examples/rimp2/README index 54e5e8d7d5..be4b25e360 100644 --- a/examples/rimp2/README +++ b/examples/rimp2/README @@ -1,4 +1,4 @@ -$Id: README,v 1.3 1999-09-29 23:27:06 gg502 Exp $ +$Id$ Here are a few small examples of RI-MP2 calculations, along with the associated SCF input decks. Most of them freeze a couple of core diff --git a/src/GNUmakefile b/src/GNUmakefile index 2500da73a5..15c1e72d28 100644 --- a/src/GNUmakefile +++ b/src/GNUmakefile @@ -1,5 +1,5 @@ -# $Id: GNUmakefile,v 1.85 2007-02-09 16:24:41 edo Exp $ +# $Id$ TARGET = $(NWCHEM_TARGET) include ./tools/armci/config/makecoms.h include ./tools/armci/config/makemp.h diff --git a/src/analyz/GNUmakefile b/src/analyz/GNUmakefile index 2eaf9b5959..2d7840c4c5 100644 --- a/src/analyz/GNUmakefile +++ b/src/analyz/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.22 2006-03-22 23:57:30 d3j191 Exp $ +# $Id$ # OBJ_OPTIMIZE = ana_angle.o\ ana_atrad.o\ diff --git a/src/analyz/ana_angle.F b/src/analyz/ana_angle.F index 216bdb4d3a..82e99757ef 100644 --- a/src/analyz/ana_angle.F +++ b/src/analyz/ana_angle.F @@ -1,6 +1,6 @@ real*8 function ana_angle(x,nx,w,nw,na,i,i2,j,j2,k,k2) c -c $Id: ana_angle.F,v 1.2 2000-05-01 18:46:30 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/ana_atrad.F b/src/analyz/ana_atrad.F index 29a008d9bc..0087385fbc 100644 --- a/src/analyz/ana_atrad.F +++ b/src/analyz/ana_atrad.F @@ -1,6 +1,6 @@ real*8 function ana_atrad(number) c -c $Id: ana_atrad.F,v 1.3 2000-07-06 18:46:58 d3j191 Exp $ +c $Id$ c implicit none integer number diff --git a/src/analyz/ana_bond.F b/src/analyz/ana_bond.F index 9a73fb4a23..9d67b0fabe 100644 --- a/src/analyz/ana_bond.F +++ b/src/analyz/ana_bond.F @@ -1,6 +1,6 @@ real*8 function ana_bond(x,nx,w,nw,na,i,i2,j,j2,box) c -c $Id: ana_bond.F,v 1.4 2002-06-25 18:33:24 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/ana_common.fh b/src/analyz/ana_common.fh index 4728f9d272..ff9da7e83f 100644 --- a/src/analyz/ana_common.fh +++ b/src/analyz/ana_common.fh @@ -1,5 +1,5 @@ c -c $Id: ana_common.fh,v 1.67 2006-09-11 21:22:33 d3j191 Exp $ +c $Id$ c integer mxbnds,mxangs,mxtors,mximps parameter(mxbnds=100) diff --git a/src/analyz/ana_covar.F b/src/analyz/ana_covar.F index 5be03d8c09..45a65e97c1 100644 --- a/src/analyz/ana_covar.F +++ b/src/analyz/ana_covar.F @@ -1,6 +1,6 @@ subroutine ana_edinit() c -c $Id: ana_covar.F,v 1.14 2007-01-15 23:09:47 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/ana_data.F b/src/analyz/ana_data.F index 606df76f50..df5fef0f9e 100644 --- a/src/analyz/ana_data.F +++ b/src/analyz/ana_data.F @@ -1,6 +1,6 @@ subroutine ana_data(t,nx,ix,x) c -c $Id: ana_data.F,v 1.2 1999-01-29 18:10:38 d3j191 Exp $ +c $Id$ c c data entry of analysis module: c diff --git a/src/analyz/ana_define.F b/src/analyz/ana_define.F index f115ec8435..78cf0bf263 100644 --- a/src/analyz/ana_define.F +++ b/src/analyz/ana_define.F @@ -1,6 +1,6 @@ subroutine ana_define(card,sgmnam,isel,wt,x) c -c $Id: ana_define.F,v 1.6 2003-10-19 03:31:01 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/ana_diel.F b/src/analyz/ana_diel.F index 6253207f51..5fabdd3c38 100644 --- a/src/analyz/ana_diel.F +++ b/src/analyz/ana_diel.F @@ -1,6 +1,6 @@ subroutine ana_diel(xs,qs,isel,xw,qw,iwsel) c -c $Id: ana_diel.F,v 1.1 2003-12-08 19:37:41 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/ana_finish.F b/src/analyz/ana_finish.F index 99ba95caa2..c179275966 100644 --- a/src/analyz/ana_finish.F +++ b/src/analyz/ana_finish.F @@ -1,6 +1,6 @@ subroutine ana_finish(sgmnam,ltask) c -c $Id: ana_finish.F,v 1.24 2003-12-03 05:04:04 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/ana_groups.F b/src/analyz/ana_groups.F index cf9a588836..ffaa862890 100644 --- a/src/analyz/ana_groups.F +++ b/src/analyz/ana_groups.F @@ -1,6 +1,6 @@ subroutine ana_groups(card,sgmnam,imol,isel,wt,x) c -c $Id: ana_groups.F,v 1.16 2007-02-06 16:32:21 d3j191 Exp $ +c $Id$ c implicit none c @@ -48,7 +48,7 @@ subroutine ana_groups(card,sgmnam,imol,isel,wt,x) end subroutine ana_group(card,sgmnam,imol,isel,wt,x,iwrk) c -c $Id: ana_groups.F,v 1.16 2007-02-06 16:32:21 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/ana_inirms.F b/src/analyz/ana_inirms.F index d57be63117..7bdce1fcbe 100644 --- a/src/analyz/ana_inirms.F +++ b/src/analyz/ana_inirms.F @@ -1,6 +1,6 @@ subroutine ana_inirms(xref,xrms,wt) c -c $Id: ana_inirms.F,v 1.2 2000-03-16 20:45:37 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/ana_init.F b/src/analyz/ana_init.F index 4ab80087cb..01fe4f599d 100644 --- a/src/analyz/ana_init.F +++ b/src/analyz/ana_init.F @@ -1,6 +1,6 @@ subroutine ana_init(nsai,msai,nwmi,mwmi,nwai,mwai,ltask) c -c $Id: ana_init.F,v 1.18 2003-12-03 05:04:04 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/ana_initx.F b/src/analyz/ana_initx.F index 6b9a67e8c7..a80c35318a 100644 --- a/src/analyz/ana_initx.F +++ b/src/analyz/ana_initx.F @@ -1,6 +1,6 @@ subroutine ana_initx c -c $Id: ana_initx.F,v 1.2 1999-01-29 18:10:40 d3j191 Exp $ +c $Id$ c c reference coordinated entry of analysis module: c diff --git a/src/analyz/ana_input.F b/src/analyz/ana_input.F index c5f925f241..8c05847bb8 100644 --- a/src/analyz/ana_input.F +++ b/src/analyz/ana_input.F @@ -1,6 +1,6 @@ subroutine ana_input(irtdb) c -c $Id: ana_input.F,v 1.74 2007-02-06 16:32:21 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/ana_params.fh b/src/analyz/ana_params.fh index 119396c66b..19c5ef0c4b 100644 --- a/src/analyz/ana_params.fh +++ b/src/analyz/ana_params.fh @@ -1,5 +1,5 @@ c -c $Id: ana_params.fh,v 1.2 2001-01-18 23:54:57 d3j191 Exp $ +c $Id$ c real*8 zero,half,one,two,three parameter(zero=0.0d0) diff --git a/src/analyz/ana_pltgrd.F b/src/analyz/ana_pltgrd.F index 7848542df9..bb333985e3 100644 --- a/src/analyz/ana_pltgrd.F +++ b/src/analyz/ana_pltgrd.F @@ -1,6 +1,6 @@ subroutine ana_pltgrd(lprint,isel) c -c $Id: ana_pltgrd.F,v 1.23 2005-12-17 01:08:52 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/ana_rama.F b/src/analyz/ana_rama.F index 329b12e937..2323b3dff7 100644 --- a/src/analyz/ana_rama.F +++ b/src/analyz/ana_rama.F @@ -1,6 +1,6 @@ subroutine ana_rama(x,iram) c -c $Id: ana_rama.F,v 1.5 2002-08-01 15:14:02 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/ana_rdf.F b/src/analyz/ana_rdf.F index d7b7243a85..eee0cb29db 100644 --- a/src/analyz/ana_rdf.F +++ b/src/analyz/ana_rdf.F @@ -1,6 +1,6 @@ subroutine ana_rdf_init() c -c $Id: ana_rdf.F,v 1.1 2004-03-06 03:41:15 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/ana_rdfram.F b/src/analyz/ana_rdfram.F index 8d014139d7..e2463149d6 100644 --- a/src/analyz/ana_rdfram.F +++ b/src/analyz/ana_rdfram.F @@ -1,6 +1,6 @@ logical function ana_rdfram(x,ix,w) c -c $Id: ana_rdfram.F,v 1.35 2006-09-11 21:22:33 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/ana_rdhdr.F b/src/analyz/ana_rdhdr.F index cf3d571ed3..8017798f71 100644 --- a/src/analyz/ana_rdhdr.F +++ b/src/analyz/ana_rdhdr.F @@ -1,6 +1,6 @@ subroutine ana_rdhdr(sgmnam) c -c $Id: ana_rdhdr.F,v 1.17 2006-03-23 01:12:26 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/ana_rdref.F b/src/analyz/ana_rdref.F index 349fe65b7a..604263deb7 100644 --- a/src/analyz/ana_rdref.F +++ b/src/analyz/ana_rdref.F @@ -1,6 +1,6 @@ subroutine ana_rdref(x) c -c $Id: ana_rdref.F,v 1.11 2003-10-19 03:31:01 d3j191 Exp $ +c $Id$ c implicit none c @@ -111,7 +111,7 @@ subroutine ana_rdref(x) end subroutine ana_center_ref(x) c -c $Id: ana_rdref.F,v 1.11 2003-10-19 03:31:01 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/ana_report.F b/src/analyz/ana_report.F index ba1fea4615..eaf3943ae4 100644 --- a/src/analyz/ana_report.F +++ b/src/analyz/ana_report.F @@ -1,6 +1,6 @@ subroutine ana_report_file(opt,fil,lfn) c -c $Id: ana_report.F,v 1.4 2003-10-19 03:31:01 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/ana_rmsdev.F b/src/analyz/ana_rmsdev.F index 760d03844c..b4cd954d63 100644 --- a/src/analyz/ana_rmsdev.F +++ b/src/analyz/ana_rmsdev.F @@ -1,5 +1,5 @@ subroutine ana_rmsdev(x,ix,nx,xref,wt,wts,xrms) -c $Id: ana_rmsdev.F,v 1.10 2007-02-06 16:32:22 d3j191 Exp $ +c $Id$ implicit none c #include "ana_params.fh" diff --git a/src/analyz/ana_rtdbin.F b/src/analyz/ana_rtdbin.F index f7cff824bf..5163d26940 100644 --- a/src/analyz/ana_rtdbin.F +++ b/src/analyz/ana_rtdbin.F @@ -1,6 +1,6 @@ subroutine ana_rtdbin c -c $Id: ana_rtdbin.F,v 1.5 2003-10-19 03:31:01 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/ana_select.F b/src/analyz/ana_select.F index 8e92dda925..e95b0cc77f 100644 --- a/src/analyz/ana_select.F +++ b/src/analyz/ana_select.F @@ -1,6 +1,6 @@ subroutine ana_select(card,sgmnam,isel,wt,x,numsel) c -c $Id: ana_select.F,v 1.13 2003-12-03 05:04:05 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/ana_sizref.F b/src/analyz/ana_sizref.F index b3842fb017..6b81915f1b 100644 --- a/src/analyz/ana_sizref.F +++ b/src/analyz/ana_sizref.F @@ -1,6 +1,6 @@ subroutine ana_sizref(nsai,msai,nwmi,mwmi,nwai,mwai) c -c $Id: ana_sizref.F,v 1.6 2003-12-03 05:04:05 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/ana_super.F b/src/analyz/ana_super.F index 76dd6a777a..8c7e0d12e3 100644 --- a/src/analyz/ana_super.F +++ b/src/analyz/ana_super.F @@ -1,6 +1,6 @@ subroutine ana_super(x,ix,nx,mx,y,w,sdev,ny,my,mod,rms0,rms1) c -c $Id: ana_super.F,v 1.3 1999-07-29 01:07:23 d3e129 Exp $ +c $Id$ c c superimpose x(1:n,1:3) onto y(1:n,1:3) c diff --git a/src/analyz/ana_tag.F b/src/analyz/ana_tag.F index f460fdc289..e48d3bf1d3 100644 --- a/src/analyz/ana_tag.F +++ b/src/analyz/ana_tag.F @@ -1,6 +1,6 @@ subroutine ana_tag(card,sgmnam,x) c -c $Id: ana_tag.F,v 1.10 2003-10-19 03:31:01 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/ana_task.F b/src/analyz/ana_task.F index 2f26e85429..5df9a71f13 100644 --- a/src/analyz/ana_task.F +++ b/src/analyz/ana_task.F @@ -1,6 +1,6 @@ subroutine ana_task c -c $Id: ana_task.F,v 1.110 2009-01-12 16:57:48 d3p307 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/ana_torsion.F b/src/analyz/ana_torsion.F index 5d930fc8a3..a890f743ea 100644 --- a/src/analyz/ana_torsion.F +++ b/src/analyz/ana_torsion.F @@ -1,6 +1,6 @@ real*8 function ana_torsion(x,nx,w,nw,na,i,i2,j,j2,k,k2,l,l2) c -c $Id: ana_torsion.F,v 1.3 2000-05-01 18:46:30 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/ana_wrtpdb.F b/src/analyz/ana_wrtpdb.F index 37cc857608..f46d73b7fd 100644 --- a/src/analyz/ana_wrtpdb.F +++ b/src/analyz/ana_wrtpdb.F @@ -1,7 +1,7 @@ subroutine ana_wrtpdb(lfnpdb,filpdb,sgmnam,isel,xs, + iwsel,xw,logs,logw,ndxw) c -c $Id: ana_wrtpdb.F,v 1.5 2001-03-23 18:37:05 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/ana_wrtxyz.F b/src/analyz/ana_wrtxyz.F index 2b2e731110..f6f9f4ce9d 100644 --- a/src/analyz/ana_wrtxyz.F +++ b/src/analyz/ana_wrtxyz.F @@ -1,7 +1,7 @@ subroutine ana_wrtxyz(lfnxxx,filxxx,sgmnam,isel,xs,qs, + iwsel,xw,logs,logw,ndxw) c -c $Id: ana_wrtxyz.F,v 1.3 2000-08-01 17:32:18 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/ana_wtfram.F b/src/analyz/ana_wtfram.F index 42a06b8e58..bc3b1b2506 100644 --- a/src/analyz/ana_wtfram.F +++ b/src/analyz/ana_wtfram.F @@ -1,7 +1,7 @@ subroutine ana_wtfram(iunit,fmt,x,sgmnam,w,isel,tag,val, + iwsel,ndxw) c -c $Id: ana_wtfram.F,v 1.57 2007-02-06 16:32:22 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/ana_wthdr.F b/src/analyz/ana_wthdr.F index 9cefe7ba2e..41646bd080 100644 --- a/src/analyz/ana_wthdr.F +++ b/src/analyz/ana_wthdr.F @@ -1,6 +1,6 @@ subroutine ana_wthdr(iunit,fmt,sgmnam,tag,isel,logw) c -c $Id: ana_wthdr.F,v 1.20 2007-02-06 16:32:22 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/ana_xaver.F b/src/analyz/ana_xaver.F index 2c2e37469e..99035b7f1f 100644 --- a/src/analyz/ana_xaver.F +++ b/src/analyz/ana_xaver.F @@ -1,6 +1,6 @@ subroutine ana_xaver(x,xa,nx,mx,nave) c -c $Id: ana_xaver.F,v 1.2 2007-01-15 23:09:47 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/analyz.F b/src/analyz/analyz.F index 28fd6c7004..103e6b0789 100644 --- a/src/analyz/analyz.F +++ b/src/analyz/analyz.F @@ -1,6 +1,6 @@ logical function analyz(irtdb0) c -c $Id: analyz.F,v 1.2 1999-01-29 18:10:44 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/analyz/super.F b/src/analyz/super.F index 9db181ea24..21d2f96564 100644 --- a/src/analyz/super.F +++ b/src/analyz/super.F @@ -1,6 +1,6 @@ subroutine super(x,ix,nx,mx,y,w,sdev,ny,my,mod,rms0,rms1) c -c $Id: super.F,v 1.2 1999-07-29 01:07:23 d3e129 Exp $ +c $Id$ c c superimpose x(1:n,1:3) onto y(1:n,1:3) c diff --git a/src/argos/GNUmakefile b/src/argos/GNUmakefile index 8128a468bb..140da31b61 100644 --- a/src/argos/GNUmakefile +++ b/src/argos/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.7 2005-10-03 21:18:07 edo Exp $ +# $Id$ # OBJ_OPTIMIZE = argos.o \ diff --git a/src/argos/argos.F b/src/argos/argos.F index 91f9cb504a..fe4a94b102 100644 --- a/src/argos/argos.F +++ b/src/argos/argos.F @@ -1,6 +1,6 @@ logical function argos(irtdb0) c -c $Id: nwmd.F,v 1.10 2003-08-07 00:24:45 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos.fh b/src/argos/argos.fh index 4abbd92596..b1fad459a6 100644 --- a/src/argos/argos.fh +++ b/src/argos/argos.fh @@ -1,5 +1,5 @@ c -c $Id: md_common.fh,v 1.88 2008-07-03 18:05:48 d3j191 Exp $ +c $Id$ c c parameters c diff --git a/src/argos/argos_cafe_alpha.F b/src/argos/argos_cafe_alpha.F index a00429170d..65924de4e7 100644 --- a/src/argos/argos_cafe_alpha.F +++ b/src/argos/argos_cafe_alpha.F @@ -1,5 +1,5 @@ subroutine argos_cafe_alpha -c $Id: argos_cafe_grid.F,v 1.20 2004-12-08 20:37:12 d3j191 Exp $ +c $Id$ implicit none c #include "argos_cafe_common.fh" diff --git a/src/argos/argos_cafe_common.fh b/src/argos/argos_cafe_common.fh index 85606def46..93fc8088d2 100644 --- a/src/argos/argos_cafe_common.fh +++ b/src/argos/argos_cafe_common.fh @@ -1,4 +1,4 @@ -c $Id: cf_common.fh,v 1.53 2006-09-18 15:42:14 d3j191 Exp $ +c $Id$ c real*8 zero,tiny,small real*8 fourth,third,half,one,two,three,four,six,twelve diff --git a/src/argos/argos_cafe_dss.F b/src/argos/argos_cafe_dss.F index e945085f62..de88d30861 100644 --- a/src/argos/argos_cafe_dss.F +++ b/src/argos/argos_cafe_dss.F @@ -3,7 +3,7 @@ subroutine argos_cafe_dss(xs,xsm,ps,psp,ismf,isml,isq2,isq3, + lpbc,chg,lssndx,lssjpt,lssin,lssj,xi,xj,rwc,rwi1,rwi2,rwi6, + rwx,rw,fi,fj,f,isal,jsal,jmal,jfal,pl,pj) c -c $Id: argos_cafe_d.F,v 1.7 2003-10-19 03:30:56 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_cafe_dsw.F b/src/argos/argos_cafe_dsw.F index 2a7da852f4..142ec850e3 100644 --- a/src/argos/argos_cafe_dsw.F +++ b/src/argos/argos_cafe_dsw.F @@ -3,7 +3,7 @@ subroutine argos_cafe_dsw(xs,xsm,ps,psp,isdt,ismf,isml, + xw,xwm,pw,pwp,iwq,lpbc,chg,lswndx,lswjpt,lswin,lswj, + rwc,xi,xj,rwx,pl,pj,fi,fj,isal) c -c $Id: argos_cafe_d.F,v 1.7 2003-10-19 03:30:56 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_cafe_dww.F b/src/argos/argos_cafe_dww.F index 96fe656fd4..a06a965f41 100644 --- a/src/argos/argos_cafe_dww.F +++ b/src/argos/argos_cafe_dww.F @@ -1,7 +1,7 @@ subroutine argos_cafe_dww(xw,xwm,pw,pwp,iwfrom,nlocw,lpbc,chg,iwq, + lwwndx,lwwjpt,lwwin,lwwj,rwc,xi,xj,rwx,pl,pj,fi,fj) c -c $Id: argos_cafe_d.F,v 1.7 2003-10-19 03:30:56 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_cafe_finish.F b/src/argos/argos_cafe_finish.F index 521916a9f7..a2642fc815 100644 --- a/src/argos/argos_cafe_finish.F +++ b/src/argos/argos_cafe_finish.F @@ -1,5 +1,5 @@ subroutine argos_cafe_finish() -c $Id: argos_cafe_finish.F,v 1.23 2006-09-18 15:42:14 d3j191 Exp $ +c $Id$ implicit none c #include "argos_cafe_common.fh" @@ -154,4 +154,4 @@ subroutine argos_cafe_finish() c return end -c $Id: argos_cafe_forces.fh,v 1.24 2006-09-18 15:42:14 d3j191 Exp $ +c $Id$ diff --git a/src/argos/argos_cafe_fpss.F b/src/argos/argos_cafe_fpss.F index 08fe9d3baa..a4b3c4bf1f 100644 --- a/src/argos/argos_cafe_fpss.F +++ b/src/argos/argos_cafe_fpss.F @@ -6,7 +6,7 @@ subroutine argos_cafe_fpss(xs,xsm,fs,zs,ps,psp, + xi,xj,rwx,rwi1,rwi2,rwi6,rwc,f,fi,fj,facu, + rw,isal,jsal,jmal,jfal,isrx,qsa2,qsa3,pl,pj) c -c $Id: argos_cafe_f.fh,v 1.66 2008-04-01 16:34:50 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_cafe_fpsw.F b/src/argos/argos_cafe_fpsw.F index 0f47e8e17d..a0c4c6b40e 100644 --- a/src/argos/argos_cafe_fpsw.F +++ b/src/argos/argos_cafe_fpsw.F @@ -5,7 +5,7 @@ subroutine argos_cafe_fpsw(xs,xsm,fs,zs,ps,psp, + xi,xj,rwx,rwi1,rwi2,rwi6,rwc,f,fi,fj,facu, + rw,isal,isrx,list,pl,pj) c -c $Id: argos_cafe_f.fh,v 1.66 2008-04-01 16:34:50 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_cafe_fpww.F b/src/argos/argos_cafe_fpww.F index 692b5bb1cb..57d881cfce 100644 --- a/src/argos/argos_cafe_fpww.F +++ b/src/argos/argos_cafe_fpww.F @@ -4,7 +4,7 @@ subroutine argos_cafe_fpww(xw,xwm,fw,pw,pwp,idt,iwfrom, + xi,xj,rwx,rwi1,rwi2,rwi6,rwc, + f,fi,fj,facu,pl,pj) c -c $Id: argos_cafe_f.fh,v 1.66 2008-04-01 16:34:50 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_cafe_fsb.F b/src/argos/argos_cafe_fsb.F index b0b9378f23..5f1683e62b 100644 --- a/src/argos/argos_cafe_fsb.F +++ b/src/argos/argos_cafe_fsb.F @@ -2,7 +2,7 @@ subroutine argos_cafe_fsb(nbonds,indexl,msb,msp,ibnd,bnd,rbnd, + natoms,ndim,igan,isgm,imol,idyn,ichg,chg,xs,fs,ess,lpbc,lpbcs, + lupden,lupdti,dera,lseq) c -c $Id: argos_cafe_f.fh,v 1.66 2008-04-01 16:34:50 d3j191 Exp $ +c $Id$ c c argos_cafe_fsb returns forces and energies for solute bonds c diff --git a/src/argos/argos_cafe_fsd.F b/src/argos/argos_cafe_fsd.F index 7dd7cce42d..04703f81a5 100644 --- a/src/argos/argos_cafe_fsd.F +++ b/src/argos/argos_cafe_fsd.F @@ -2,7 +2,7 @@ subroutine argos_cafe_fsd(ndihes,indexl,msd,msp,idih,dih,rdih, + natoms,ndim,igan,isgm,imol,idyn,xs,fs,ess,lpbc,lpbcs,lupden, + lupdti,dera,lseq) c -c $Id: argos_cafe_f.fh,v 1.66 2008-04-01 16:34:50 d3j191 Exp $ +c $Id$ c c argos_cafe_fsd returns forces and energies for solute angles c diff --git a/src/argos/argos_cafe_fsh.F b/src/argos/argos_cafe_fsh.F index 81a862dff2..d1895b1c23 100644 --- a/src/argos/argos_cafe_fsh.F +++ b/src/argos/argos_cafe_fsh.F @@ -2,7 +2,7 @@ subroutine argos_cafe_fsh(nangls,indexl,msh,msp,iang,ang,rang,rub, + natoms,ndim,igan,isgm,imol,idyn,ichg,chg,xs,fs,ess,lpbc,lpbcs, + lupden,lupdti,dera,lseq) c -c $Id: argos_cafe_f.fh,v 1.66 2008-04-01 16:34:50 d3j191 Exp $ +c $Id$ c c argos_cafe_fsh returns forces and energies for solute angles c diff --git a/src/argos/argos_cafe_fso.F b/src/argos/argos_cafe_fso.F index a669933e9c..e8296921b4 100644 --- a/src/argos/argos_cafe_fso.F +++ b/src/argos/argos_cafe_fso.F @@ -2,7 +2,7 @@ subroutine argos_cafe_fso(nimprs,indexl,mso,msp,iimp,dimp,rimp, + natoms,ndim,igan,isgm,imol,idyn,xs,fs,ess,lpbc,lpbcs,lupden, + lupdti,dera,lseq) c -c $Id: argos_cafe_f.fh,v 1.66 2008-04-01 16:34:50 d3j191 Exp $ +c $Id$ c c argos_cafe_fso returns forces and energies for solute improper dihedral angles c diff --git a/src/argos/argos_cafe_fss.F b/src/argos/argos_cafe_fss.F index 12762adf3d..57a9ae67b9 100644 --- a/src/argos/argos_cafe_fss.F +++ b/src/argos/argos_cafe_fss.F @@ -6,7 +6,7 @@ subroutine argos_cafe_fss(xs,xsm,fs,zs, + xi,xj,rwx,rwi1,rwi2,rwi6,rwc,f,fi,fj,facu, + rw,isal,jsal,jmal,jfal,isrx,qsa2,qsa3,dera,lda,rda,uda,lseq) c -c $Id: argos_cafe_f.fh,v 1.66 2008-04-01 16:34:50 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_cafe_fst.F b/src/argos/argos_cafe_fst.F index d855f35690..359b57d584 100644 --- a/src/argos/argos_cafe_fst.F +++ b/src/argos/argos_cafe_fst.F @@ -3,7 +3,7 @@ subroutine argos_cafe_fst(nthrds,indexl,mst,idtn,vdw,chg, + iatt,igan,isgm,imol,idyn,ichg,isss,xs,fs,ess,lpbc,lpbcs,dera, + esa,lseq) c -c $Id: argos_cafe_f.fh,v 1.66 2008-04-01 16:34:50 d3j191 Exp $ +c $Id$ c c argos_cafe_fst returns forces and energies for solute third neighbors c diff --git a/src/argos/argos_cafe_fsw.F b/src/argos/argos_cafe_fsw.F index 73933defe9..39e5063f7f 100644 --- a/src/argos/argos_cafe_fsw.F +++ b/src/argos/argos_cafe_fsw.F @@ -5,7 +5,7 @@ subroutine argos_cafe_fsw(xs,xsm,fs,zs, + xi,xj,rwx,rwi1,rwi2,rwi6,rwc,f,fi,fj,facu, + rw,isal,isrx,list,dera) c -c $Id: argos_cafe_f.fh,v 1.66 2008-04-01 16:34:50 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_cafe_funcs.fh b/src/argos/argos_cafe_funcs.fh index 6ad8cf7e23..a3c8817755 100644 --- a/src/argos/argos_cafe_funcs.fh +++ b/src/argos/argos_cafe_funcs.fh @@ -1,5 +1,5 @@ c -c $Id: cf_funcs.fh,v 1.2 1999-02-17 03:33:26 d3j191 Exp $ +c $Id$ c c c erfc(x)=1.0/((1.0+x*(0.278393+x*(0.230389+x*(0.000972+ diff --git a/src/argos/argos_cafe_fw.F b/src/argos/argos_cafe_fw.F index 1baea7823b..c6f8945d96 100644 --- a/src/argos/argos_cafe_fw.F +++ b/src/argos/argos_cafe_fw.F @@ -4,7 +4,7 @@ subroutine argos_cafe_fw(iwfr,iwto,xw,fw,iwdt,iwatm,iwq, + mwd,nwd,ndp,idih,dih,rdih,mwo,nwo,nop,iimp,dimp,rimp, + mwt,nwt,idwt,mwn,nwn,idwn) c -c $Id: argos_cafe_f.fh,v 1.66 2008-04-01 16:34:50 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_cafe_fww.F b/src/argos/argos_cafe_fww.F index 423154b7df..d9a29d4256 100644 --- a/src/argos/argos_cafe_fww.F +++ b/src/argos/argos_cafe_fww.F @@ -3,7 +3,7 @@ subroutine argos_cafe_fww(xw,xwm,fw,idt,iwfrom,nwloc,lpbc,eww, + xi,xj,rwx,rwi1,rwi2,rwi6,rwc, + f,fi,fj,facu) c -c $Id: argos_cafe_f.fh,v 1.66 2008-04-01 16:34:50 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_cafe_hopping.F b/src/argos/argos_cafe_hopping.F index 233ec948d3..633032e0ad 100644 --- a/src/argos/argos_cafe_hopping.F +++ b/src/argos/argos_cafe_hopping.F @@ -1,7 +1,7 @@ logical function argos_cafe_hopping(lpbc,lpbcs,stimei, + isl,issgm,isgan,isq3,ishop,xs,nsaloc) c -c $Id: argos_cafe_hopping.F,v 1.17 2006-09-18 15:42:14 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_cafe_lww.F b/src/argos/argos_cafe_lww.F index 856a922409..fa837e12b3 100644 --- a/src/argos/argos_cafe_lww.F +++ b/src/argos/argos_cafe_lww.F @@ -1,6 +1,6 @@ subroutine argos_cafe_lww(lself,lpbc,xwm,idt,iwfr,iwto,jwfr,jwto, + nlocw,mpairs,npairs,lwwjpt,lwwin,lwwj,list,rwx,rw) -c $Id: argos_cafe_list.F,v 1.33 2006-09-18 15:42:14 d3j191 Exp $ +c $Id$ implicit none c #include "argos_cafe_common.fh" diff --git a/src/argos/argos_cafe_pbc.F b/src/argos/argos_cafe_pbc.F index ee0aafaa6d..180e7cf2c5 100644 --- a/src/argos/argos_cafe_pbc.F +++ b/src/argos/argos_cafe_pbc.F @@ -1,6 +1,6 @@ subroutine argos_cafe_pbc(iopt,xd,ndd,xc,ndc,noff,n0,n1) c -c $Id: argos_cafe_pbc.F,v 1.6 2000-03-17 05:30:27 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_cafe_polar.F b/src/argos/argos_cafe_polar.F index 7586e9ddfc..2ba798c085 100644 --- a/src/argos/argos_cafe_polar.F +++ b/src/argos/argos_cafe_polar.F @@ -309,4 +309,4 @@ subroutine argos_cafe_polar(lself,lpbcs, c return end -c $Id: argos_cafe_forces.fh,v 1.24 2006-09-18 15:42:14 d3j191 Exp $ +c $Id$ diff --git a/src/argos/argos_cafe_rdgeom.F b/src/argos/argos_cafe_rdgeom.F index cf341577ea..f363e6a102 100644 --- a/src/argos/argos_cafe_rdgeom.F +++ b/src/argos/argos_cafe_rdgeom.F @@ -1,5 +1,5 @@ subroutine argos_cafe_rdgeom(snam) -c $Id: argos_cafe_rdgeom.F,v 1.12 2005-01-08 20:24:31 d3j191 Exp $ +c $Id$ implicit none c #include "argos_cafe_common.fh" diff --git a/src/argos/argos_cafe_rdtop.F b/src/argos/argos_cafe_rdtop.F index d1653d2216..4ed54d1a87 100644 --- a/src/argos/argos_cafe_rdtop.F +++ b/src/argos/argos_cafe_rdtop.F @@ -1,5 +1,5 @@ subroutine argos_cafe_rdtop(lfntop,filtop,snam) -c $Id: argos_cafe_rdtop.F,v 1.37 2007-08-03 19:16:45 d3j191 Exp $ +c $Id$ implicit none c #include "argos_cafe_common.fh" diff --git a/src/argos/argos_cafe_shakew.F b/src/argos/argos_cafe_shakew.F index a54f1a031e..0cd527b1d9 100644 --- a/src/argos/argos_cafe_shakew.F +++ b/src/argos/argos_cafe_shakew.F @@ -1,5 +1,5 @@ subroutine argos_cafe_shakew(xw,yw,iwgm,iwdt,numw) -c $Id: argos_cafe_shake.F,v 1.27 2006-09-18 15:42:15 d3j191 Exp $ +c $Id$ implicit none c #include "argos_cafe_common.fh" diff --git a/src/argos/argos_cafe_start.F b/src/argos/argos_cafe_start.F index eb0d70ff3d..5c7998841e 100644 --- a/src/argos/argos_cafe_start.F +++ b/src/argos/argos_cafe_start.F @@ -8,7 +8,7 @@ subroutine argos_cafe_start(irtdbi,lfnout,lfntop,filtop, + ipset2,issscl,delta,nfanal,lpbc,npgi,fldi,fvec,ffrq,npenrg,ictrl, + nbiasi,mropti,incl,ltwn,nseqi,i_lseqi,nfhopi,rhopi,thopi,ndumsi, + ipbtpi,lfnhopi,iradgi,nbgeti,npreci) -c $Id: argos_cafe_init.F,v 1.110 2007-08-03 19:16:45 d3j191 Exp $ +c $Id$ implicit none c #include "argos_cafe_common.fh" diff --git a/src/argos/argos_cafe_weight.F b/src/argos/argos_cafe_weight.F index 5f9210102a..f542d072a0 100644 --- a/src/argos/argos_cafe_weight.F +++ b/src/argos/argos_cafe_weight.F @@ -1,5 +1,5 @@ subroutine argos_cafe_weight(numw,nums,isat,isml,ishop,wbx) -c $Id: argos_cafe_main.F,v 1.182 2008-08-22 21:15:58 bert Exp $ +c $Id$ implicit none c #include "argos_cafe_common.fh" diff --git a/src/argos/argos_constants.fh b/src/argos/argos_constants.fh index 9f83398dcf..831ff53f09 100644 --- a/src/argos/argos_constants.fh +++ b/src/argos/argos_constants.fh @@ -1,5 +1,5 @@ c -c $Id: constants.fh,v 1.1 2000-04-04 18:08:17 d3j191 Exp $ +c $Id$ c real*8 cnm2au,cau2kj,cau2nm,cau2N c diff --git a/src/argos/argos_diana.F b/src/argos/argos_diana.F index a5c67f27c4..938cc1860e 100644 --- a/src/argos/argos_diana.F +++ b/src/argos/argos_diana.F @@ -1,6 +1,6 @@ logical function argos_diana(irtdb0) c -c $Id: diana.F,v 1.1 2006-12-10 01:03:24 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_alloc.F b/src/argos/argos_diana_alloc.F index 3e91a9eb24..983682ff83 100644 --- a/src/argos/argos_diana_alloc.F +++ b/src/argos/argos_diana_alloc.F @@ -1,6 +1,6 @@ subroutine argos_diana_alloc(ltask) c -c $Id: argos_diana_alloc.F,v 1.2 2007-01-27 02:22:34 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_angle.F b/src/argos/argos_diana_angle.F index 6d9426a07f..070ab6cc72 100644 --- a/src/argos/argos_diana_angle.F +++ b/src/argos/argos_diana_angle.F @@ -1,6 +1,6 @@ real*8 function argos_diana_angle(x,nx,w,nw,na,i,i2,j,j2,k,k2) c -c $Id: argos_diana_angle.F,v 1.1 2006-12-10 01:03:20 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_atrad.F b/src/argos/argos_diana_atrad.F index c42b5eae9d..f20430716f 100644 --- a/src/argos/argos_diana_atrad.F +++ b/src/argos/argos_diana_atrad.F @@ -1,6 +1,6 @@ real*8 function argos_diana_atrad(number) c -c $Id: argos_diana_atrad.F,v 1.1 2006-12-10 01:03:20 d3j191 Exp $ +c $Id$ c implicit none integer number diff --git a/src/argos/argos_diana_average.F b/src/argos/argos_diana_average.F index 647d188e36..b86ca170a6 100644 --- a/src/argos/argos_diana_average.F +++ b/src/argos/argos_diana_average.F @@ -1,6 +1,6 @@ subroutine argos_diana_average() c -c $Id: argos_diana_average.F,v 1.3 2007-03-14 16:17:44 d3j191 Exp $ +c $Id$ c c get atom selection c ------------------ diff --git a/src/argos/argos_diana_bond.F b/src/argos/argos_diana_bond.F index b3a28f7667..bca3599a49 100644 --- a/src/argos/argos_diana_bond.F +++ b/src/argos/argos_diana_bond.F @@ -1,6 +1,6 @@ real*8 function argos_diana_bond(x,nx,w,nw,na,i,i2,j,j2,box) c -c $Id: argos_diana_bond.F,v 1.1 2006-12-10 01:03:20 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_center_ref.F b/src/argos/argos_diana_center_ref.F index 93194c9073..b069060e7f 100644 --- a/src/argos/argos_diana_center_ref.F +++ b/src/argos/argos_diana_center_ref.F @@ -1,6 +1,6 @@ subroutine argos_diana_center_ref(x) c -c $Id: argos_diana_rdref.F,v 1.3 2008-04-25 16:03:21 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_common.fh b/src/argos/argos_diana_common.fh index 0d59baf3f8..9c21037b24 100644 --- a/src/argos/argos_diana_common.fh +++ b/src/argos/argos_diana_common.fh @@ -1,5 +1,5 @@ c -c $Id: dia_common.fh,v 1.15 2007-05-11 00:05:10 d3j191 Exp $ +c $Id$ c integer mxdist,mxangl,mxtors,mximps parameter(mxdist=100) diff --git a/src/argos/argos_diana_covar.F b/src/argos/argos_diana_covar.F index cc1955121d..b6a820ede3 100644 --- a/src/argos/argos_diana_covar.F +++ b/src/argos/argos_diana_covar.F @@ -1,6 +1,6 @@ subroutine argos_diana_covar() c -c $Id: argos_diana_covar.F,v 1.9 2007-05-10 16:52:36 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_data.F b/src/argos/argos_diana_data.F index a4aee99620..80682d7abd 100644 --- a/src/argos/argos_diana_data.F +++ b/src/argos/argos_diana_data.F @@ -1,6 +1,6 @@ subroutine argos_diana_data(t,nx,ix,x) c -c $Id: argos_diana_data.F,v 1.1 2006-12-10 01:03:21 d3j191 Exp $ +c $Id$ c c data entry of analysis module: c diff --git a/src/argos/argos_diana_define.F b/src/argos/argos_diana_define.F index be6fc35fe2..f4a468b376 100644 --- a/src/argos/argos_diana_define.F +++ b/src/argos/argos_diana_define.F @@ -1,6 +1,6 @@ subroutine argos_diana_define(sgmnam,isel,wt,x) c -c $Id: argos_diana_define.F,v 1.2 2007-01-27 02:22:35 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_diel.F b/src/argos/argos_diana_diel.F index 2d53f55575..0176548107 100644 --- a/src/argos/argos_diana_diel.F +++ b/src/argos/argos_diana_diel.F @@ -1,6 +1,6 @@ subroutine argos_diana_diel(xs,qs,isel,xw,qw,iwsel) c -c $Id: argos_diana_diel.F,v 1.1 2006-12-10 01:03:21 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_distance.F b/src/argos/argos_diana_distance.F index 7dcee50540..30bc854542 100644 --- a/src/argos/argos_diana_distance.F +++ b/src/argos/argos_diana_distance.F @@ -1,6 +1,6 @@ real*8 function argos_diana_distance(x,nx,w,nw,na,i,i2,j,j2,box) c -c $Id: argos_diana_distance.F,v 1.2 2007-04-26 02:38:38 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_espplt.F b/src/argos/argos_diana_espplt.F index b1ce3a66e3..1f55e84e9c 100644 --- a/src/argos/argos_diana_espplt.F +++ b/src/argos/argos_diana_espplt.F @@ -1,6 +1,6 @@ subroutine argos_diana_espplt() c -c $Id: argos_diana_pltgrd.F,v 1.2 2007-05-09 16:20:38 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_evaluate.F b/src/argos/argos_diana_evaluate.F index 33526a22eb..7b5e63d8e8 100644 --- a/src/argos/argos_diana_evaluate.F +++ b/src/argos/argos_diana_evaluate.F @@ -1,6 +1,6 @@ subroutine argos_diana_evaluate() c -c $Id: argos_diana_evaluate.F,v 1.9 2007-05-09 18:05:00 d3j191 Exp $ +c $Id$ c c evaluate the defined properties c ------------------------------- diff --git a/src/argos/argos_diana_finish.F b/src/argos/argos_diana_finish.F index 690578d381..27816db3df 100644 --- a/src/argos/argos_diana_finish.F +++ b/src/argos/argos_diana_finish.F @@ -1,6 +1,6 @@ subroutine argos_diana_finish(sgmnam,ltask) c -c $Id: argos_diana_finish.F,v 1.2 2007-03-14 16:17:48 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_gethdr.F b/src/argos/argos_diana_gethdr.F index 6d076fc99b..f7a7e6a3fb 100644 --- a/src/argos/argos_diana_gethdr.F +++ b/src/argos/argos_diana_gethdr.F @@ -1,6 +1,6 @@ subroutine argos_diana_gethdr c -c $Id: argos_diana_gethdr.F,v 1.1 2007-01-27 02:26:03 d3j191 Exp $ +c $Id$ c c read the trajectory file header c ------------------------------- diff --git a/src/argos/argos_diana_getref.F b/src/argos/argos_diana_getref.F index 0b65965a3c..3fcc17c7aa 100644 --- a/src/argos/argos_diana_getref.F +++ b/src/argos/argos_diana_getref.F @@ -1,6 +1,6 @@ subroutine argos_diana_getref c -c $Id: argos_diana_getref.F,v 1.2 2007-02-06 16:32:24 d3j191 Exp $ +c $Id$ c c read the reference coordinates c ------------------------------ diff --git a/src/argos/argos_diana_getsel.F b/src/argos/argos_diana_getsel.F index 67cefb2172..2aadd44c98 100644 --- a/src/argos/argos_diana_getsel.F +++ b/src/argos/argos_diana_getsel.F @@ -1,6 +1,6 @@ subroutine argos_diana_getsel c -c $Id: argos_diana_saver.F,v 1.1 2007-01-27 02:26:03 d3j191 Exp $ +c $Id$ c c get atom selection c ------------------ diff --git a/src/argos/argos_diana_gettop.F b/src/argos/argos_diana_gettop.F index dc2c26f882..11cdb9650d 100644 --- a/src/argos/argos_diana_gettop.F +++ b/src/argos/argos_diana_gettop.F @@ -1,6 +1,6 @@ subroutine argos_diana_gettop c -c $Id: argos_diana_gettop.F,v 1.2 2007-01-30 00:46:21 d3j191 Exp $ +c $Id$ c c read the topology file c ---------------------- diff --git a/src/argos/argos_diana_gettrj.F b/src/argos/argos_diana_gettrj.F index d42a8da66b..689a496795 100644 --- a/src/argos/argos_diana_gettrj.F +++ b/src/argos/argos_diana_gettrj.F @@ -1,6 +1,6 @@ subroutine argos_diana_gettrj c -c $Id: argos_diana_gettrj.F,v 1.8 2007-05-10 00:21:03 d3j191 Exp $ +c $Id$ c c read the trajectory c ------------------- diff --git a/src/argos/argos_diana_group.F b/src/argos/argos_diana_group.F index fd633025a2..4b4ac8467d 100644 --- a/src/argos/argos_diana_group.F +++ b/src/argos/argos_diana_group.F @@ -1,6 +1,6 @@ subroutine argos_diana_group(sgmnam,imol,isel,wt,x,iwrk) c -c $Id: argos_diana_groups.F,v 1.3 2007-02-06 21:24:16 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_groups.F b/src/argos/argos_diana_groups.F index a01f4cdeb7..3268072375 100644 --- a/src/argos/argos_diana_groups.F +++ b/src/argos/argos_diana_groups.F @@ -1,6 +1,6 @@ subroutine argos_diana_groups(sgmnam,imol,isel,wt,x) c -c $Id: argos_diana_groups.F,v 1.3 2007-02-06 21:24:16 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_inirms.F b/src/argos/argos_diana_inirms.F index 569df8915b..c66737001b 100644 --- a/src/argos/argos_diana_inirms.F +++ b/src/argos/argos_diana_inirms.F @@ -1,6 +1,6 @@ subroutine argos_diana_inirms(xref,xrms,wt) c -c $Id: argos_diana_inirms.F,v 1.1 2006-12-10 01:03:21 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_init.F b/src/argos/argos_diana_init.F index ef9c2453da..5c287c150b 100644 --- a/src/argos/argos_diana_init.F +++ b/src/argos/argos_diana_init.F @@ -1,6 +1,6 @@ subroutine argos_diana_init c -c $Id: argos_diana_init.F,v 1.10 2007-05-11 00:05:10 d3j191 Exp $ +c $Id$ c c c initialize variables diff --git a/src/argos/argos_diana_initx.F b/src/argos/argos_diana_initx.F index c79e2607eb..4251e90451 100644 --- a/src/argos/argos_diana_initx.F +++ b/src/argos/argos_diana_initx.F @@ -1,6 +1,6 @@ subroutine argos_diana_initx c -c $Id: argos_diana_initx.F,v 1.1 2006-12-10 01:03:22 d3j191 Exp $ +c $Id$ c c reference coordinated entry of analysis module: c diff --git a/src/argos/argos_diana_input.F b/src/argos/argos_diana_input.F index 4c9f29790f..32e30c047b 100644 --- a/src/argos/argos_diana_input.F +++ b/src/argos/argos_diana_input.F @@ -1,6 +1,6 @@ subroutine argos_diana_input(irtdb) c -c $Id: argos_diana_input.F,v 1.15 2007-05-11 00:05:10 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_params.fh b/src/argos/argos_diana_params.fh index c85009f184..19c5ef0c4b 100644 --- a/src/argos/argos_diana_params.fh +++ b/src/argos/argos_diana_params.fh @@ -1,5 +1,5 @@ c -c $Id: dia_params.fh,v 1.1 2006-12-10 01:03:22 d3j191 Exp $ +c $Id$ c real*8 zero,half,one,two,three parameter(zero=0.0d0) diff --git a/src/argos/argos_diana_pltgrd.F b/src/argos/argos_diana_pltgrd.F index 18fb07f284..49427b3342 100644 --- a/src/argos/argos_diana_pltgrd.F +++ b/src/argos/argos_diana_pltgrd.F @@ -1,6 +1,6 @@ subroutine argos_diana_pltgrd(lprint,isel) c -c $Id: argos_diana_pltgrd.F,v 1.2 2007-05-09 16:20:38 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_rama.F b/src/argos/argos_diana_rama.F index 006cc6f676..2acabfbb34 100644 --- a/src/argos/argos_diana_rama.F +++ b/src/argos/argos_diana_rama.F @@ -1,6 +1,6 @@ subroutine argos_diana_rama() c -c $Id: argos_diana_rama.F,v 1.5 2007-05-21 17:58:25 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_rdf_init.F b/src/argos/argos_diana_rdf_init.F index 93a49104f4..065155f5d1 100644 --- a/src/argos/argos_diana_rdf_init.F +++ b/src/argos/argos_diana_rdf_init.F @@ -1,6 +1,6 @@ subroutine argos_diana_rdf_init() c -c $Id: argos_diana_rdf.F,v 1.1 2006-12-10 01:03:22 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_rdfram.F b/src/argos/argos_diana_rdfram.F index 2d4779c994..388d0a6d04 100644 --- a/src/argos/argos_diana_rdfram.F +++ b/src/argos/argos_diana_rdfram.F @@ -1,6 +1,6 @@ logical function argos_diana_rdfram(x,w) c -c $Id: argos_diana_rdfram.F,v 1.7 2007-03-08 23:07:21 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_rdhdr.F b/src/argos/argos_diana_rdhdr.F index 673278e511..adcb451841 100644 --- a/src/argos/argos_diana_rdhdr.F +++ b/src/argos/argos_diana_rdhdr.F @@ -1,6 +1,6 @@ subroutine argos_diana_rdhdr(sgmnam) c -c $Id: argos_diana_rdhdr.F,v 1.3 2007-02-03 00:40:52 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_rdref.F b/src/argos/argos_diana_rdref.F index 3c46d7fc9f..116f27b2d2 100644 --- a/src/argos/argos_diana_rdref.F +++ b/src/argos/argos_diana_rdref.F @@ -1,6 +1,6 @@ subroutine argos_diana_rdref(x) c -c $Id: argos_diana_rdref.F,v 1.3 2008-04-25 16:03:21 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_report_file.F b/src/argos/argos_diana_report_file.F index 3e35e4f1c4..ef18368b1d 100644 --- a/src/argos/argos_diana_report_file.F +++ b/src/argos/argos_diana_report_file.F @@ -1,6 +1,6 @@ subroutine argos_diana_report_file(opt,fil,lfn) c -c $Id: argos_diana_report.F,v 1.1 2006-12-10 01:03:23 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_rmsd.F b/src/argos/argos_diana_rmsd.F index 770a838054..f2f426ae8b 100644 --- a/src/argos/argos_diana_rmsd.F +++ b/src/argos/argos_diana_rmsd.F @@ -1,6 +1,6 @@ subroutine argos_diana_rmsd c -c $Id: argos_diana_rmsdev.F,v 1.6 2007-03-14 16:17:48 d3j191 Exp $ +c $Id$ implicit none c #include "argos_diana_params.fh" diff --git a/src/argos/argos_diana_rmsdev.F b/src/argos/argos_diana_rmsdev.F index fed1c4586b..220dff52ba 100644 --- a/src/argos/argos_diana_rmsdev.F +++ b/src/argos/argos_diana_rmsdev.F @@ -1,6 +1,6 @@ subroutine argos_diana_rmsdev(xtrj,xr,wt,wts,xrms,rms,trms,ga_rms, + isel,sgmnam) -c $Id: argos_diana_rmsdev.F,v 1.6 2007-03-14 16:17:48 d3j191 Exp $ +c $Id$ implicit none c #include "argos_diana_params.fh" diff --git a/src/argos/argos_diana_rtdbin.F b/src/argos/argos_diana_rtdbin.F index bbc1d84577..1c645f7a74 100644 --- a/src/argos/argos_diana_rtdbin.F +++ b/src/argos/argos_diana_rtdbin.F @@ -1,6 +1,6 @@ subroutine argos_diana_rtdbin c -c $Id: argos_diana_rtdbin.F,v 1.1 2006-12-10 01:03:23 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_select.F b/src/argos/argos_diana_select.F index 362dda5dec..0b855155b0 100644 --- a/src/argos/argos_diana_select.F +++ b/src/argos/argos_diana_select.F @@ -1,6 +1,6 @@ subroutine argos_diana_select(sgmnam,isel,wt,x,numsel) c -c $Id: argos_diana_select.F,v 1.3 2007-01-30 00:46:21 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_sizref.F b/src/argos/argos_diana_sizref.F index 7ad6a072e9..6b9bd08df9 100644 --- a/src/argos/argos_diana_sizref.F +++ b/src/argos/argos_diana_sizref.F @@ -1,6 +1,6 @@ subroutine argos_diana_sizref() c -c $Id: argos_diana_sizref.F,v 1.2 2007-01-27 02:22:35 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_super.F b/src/argos/argos_diana_super.F index abba2d37a8..1bbe9d8756 100644 --- a/src/argos/argos_diana_super.F +++ b/src/argos/argos_diana_super.F @@ -1,6 +1,6 @@ subroutine argos_diana_super() c -c $Id: argos_diana_super.F,v 1.5 2007-03-14 16:17:48 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_super2.F b/src/argos/argos_diana_super2.F index eac213efcf..fc334bbe63 100644 --- a/src/argos/argos_diana_super2.F +++ b/src/argos/argos_diana_super2.F @@ -1,7 +1,7 @@ subroutine argos_diana_super2(x,ix,nx,mx,y,w,sdev,ny,my,mod,rms0, + rms1) c -c $Id: argos_diana_super.F,v 1.5 2007-03-14 16:17:48 d3j191 Exp $ +c $Id$ c c superimpose x(1:n,1:3) onto y(1:n,1:3) c diff --git a/src/argos/argos_diana_tag.F b/src/argos/argos_diana_tag.F index 3cb2338090..d7d3684df4 100644 --- a/src/argos/argos_diana_tag.F +++ b/src/argos/argos_diana_tag.F @@ -1,6 +1,6 @@ subroutine argos_diana_tag(sgmnam,x) c -c $Id: argos_diana_tag.F,v 1.2 2007-01-27 02:22:35 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_task.F b/src/argos/argos_diana_task.F index e7bc95a4af..38c91d943d 100644 --- a/src/argos/argos_diana_task.F +++ b/src/argos/argos_diana_task.F @@ -1,6 +1,6 @@ subroutine argos_diana_task c -c $Id: argos_diana_task.F,v 1.15 2007-05-11 00:05:11 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_torsion.F b/src/argos/argos_diana_torsion.F index 350853dec3..cc31039d5e 100644 --- a/src/argos/argos_diana_torsion.F +++ b/src/argos/argos_diana_torsion.F @@ -1,7 +1,7 @@ real*8 function argos_diana_torsion(x,nx,w,nw,na,i,i2,j,j2,k,k2,l, + l2) c -c $Id: argos_diana_torsion.F,v 1.2 2007-02-03 00:40:52 d3j191 Exp $ +c $Id$ c implicit none #include "global.fh" diff --git a/src/argos/argos_diana_wrtpdb.F b/src/argos/argos_diana_wrtpdb.F index 5f76ae605a..3b1fad8205 100644 --- a/src/argos/argos_diana_wrtpdb.F +++ b/src/argos/argos_diana_wrtpdb.F @@ -1,7 +1,7 @@ subroutine argos_diana_wrtpdb(lfnpdb,filpdb,sgmnam,isel,xs, + iwsel,xw,logs,logw,ndxw) c -c $Id: argos_diana_wrtpdb.F,v 1.1 2006-12-10 01:03:24 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_wrtxyz.F b/src/argos/argos_diana_wrtxyz.F index c0a1912acc..fe9a9d877f 100644 --- a/src/argos/argos_diana_wrtxyz.F +++ b/src/argos/argos_diana_wrtxyz.F @@ -1,7 +1,7 @@ subroutine argos_diana_wrtxyz(lfnxxx,filxxx,sgmnam,isel,xs,qs, + iwsel,xw,logs,logw,ndxw) c -c $Id: argos_diana_wrtxyz.F,v 1.1 2006-12-10 01:03:24 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_wtfram.F b/src/argos/argos_diana_wtfram.F index 653117bd62..36b77c8272 100644 --- a/src/argos/argos_diana_wtfram.F +++ b/src/argos/argos_diana_wtfram.F @@ -1,7 +1,7 @@ subroutine argos_diana_wtfram(fmt,sgmnam,x,w,isel,tag,val, + iwsel,ndxw) c -c $Id: argos_diana_wtfram.F,v 1.2 2007-01-27 02:22:35 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_wthdr.F b/src/argos/argos_diana_wthdr.F index 44d7fb7eec..162b6313d9 100644 --- a/src/argos/argos_diana_wthdr.F +++ b/src/argos/argos_diana_wthdr.F @@ -1,6 +1,6 @@ subroutine argos_diana_wthdr(fmt,sgmnam,tag,isel,logw) c -c $Id: argos_diana_wthdr.F,v 1.2 2007-01-27 02:22:35 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_diana_xaver.F b/src/argos/argos_diana_xaver.F index 0205920d5c..3601be47e6 100644 --- a/src/argos/argos_diana_xaver.F +++ b/src/argos/argos_diana_xaver.F @@ -2,7 +2,7 @@ subroutine argos_diana_xaver(xtrj,xa) c c x,xa,nx,mx,nave) c -c $Id: argos_diana_xaver.F,v 1.6 2007-03-14 16:17:49 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_finish.F b/src/argos/argos_finish.F index bd77846030..e8624d4e09 100644 --- a/src/argos/argos_finish.F +++ b/src/argos/argos_finish.F @@ -1,6 +1,6 @@ subroutine argos_finish() c -c $Id: argos_finish.F,v 1.41 2008-08-22 21:35:13 marat Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_induce.F b/src/argos/argos_induce.F index 6db830ddde..a13dc8521e 100644 --- a/src/argos/argos_induce.F +++ b/src/argos/argos_induce.F @@ -31,7 +31,7 @@ subroutine argos_induce(lself,lpbcs,xw,xwm,pw,pwp,iwdt,iwz, c c dimensions nwm,nwa and nsa need to have been given by a call to argos_cafe_initx c -c $Id: argos_cafe_induce.F,v 1.9 2005-01-08 19:17:20 d3j191 Exp $ +c $Id$ implicit none c #include "argos_cafe_common.fh" diff --git a/src/argos/argos_input.F b/src/argos/argos_input.F index 9577afb0ee..dbf5effde4 100644 --- a/src/argos/argos_input.F +++ b/src/argos/argos_input.F @@ -1,6 +1,6 @@ subroutine argos_input(irtdb) c -c $Id: argos_input.F,v 1.92 2008-07-03 18:05:48 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_main.F b/src/argos/argos_main.F index 9ba544969f..c15dd3bfd6 100644 --- a/src/argos/argos_main.F +++ b/src/argos/argos_main.F @@ -1,6 +1,6 @@ subroutine argos_main() c -c $Id: argos_main.F,v 1.216 2008-07-03 18:05:48 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_pairs.F b/src/argos/argos_pairs.F index 3b15a89cd8..33d05700a0 100644 --- a/src/argos/argos_pairs.F +++ b/src/argos/argos_pairs.F @@ -30,7 +30,7 @@ subroutine argos_pairs(lself,lpbcs,xw,xwm,iwdt,iwz, c c dimensions nwm,nwa and nsa need to have been given by a call to argos_cafe_initx c -c $Id: argos_cafe_pairs.F,v 1.15 2006-09-18 15:42:14 d3j191 Exp $ +c $Id$ implicit none c #include "argos_cafe_common.fh" diff --git a/src/argos/argos_pme_chgrid.F b/src/argos/argos_pme_chgrid.F index 94c9750fb5..e4334612eb 100644 --- a/src/argos/argos_pme_chgrid.F +++ b/src/argos/argos_pme_chgrid.F @@ -1,6 +1,6 @@ subroutine argos_pme_chgrid(ipset,xw,nwmloc,xs,isq, + isgm,nsaloc,epme) -c $Id: argos_pme_grid.F,v 1.35 2004-03-26 23:40:28 d3j191 Exp $ +c $Id$ implicit none c #include "argos_pme_common.fh" diff --git a/src/argos/argos_pme_common.fh b/src/argos/argos_pme_common.fh index 45d8541f19..ca2286a8c0 100644 --- a/src/argos/argos_pme_common.fh +++ b/src/argos/argos_pme_common.fh @@ -1,4 +1,4 @@ -c $Id: pme_common.fh,v 1.9 2004-03-26 23:40:28 d3j191 Exp $ +c $Id$ c real*8 zero,small,half,one,two,four parameter(zero=0.0d0) diff --git a/src/argos/argos_pme_fft.F b/src/argos/argos_pme_fft.F index 40a409d945..59ab2ccb82 100644 --- a/src/argos/argos_pme_fft.F +++ b/src/argos/argos_pme_fft.F @@ -1,6 +1,6 @@ subroutine argos_pme_fft(nd1,nd2,nd3,isgn,x1,x2, $ map1,map2,knode,itype) -c $Id: argos_pme_fft.F,v 1.21 2004-01-31 20:17:09 d3j191 Exp $ +c $Id$ implicit none c #include "argos_pme_common.fh" diff --git a/src/argos/argos_pme_start.F b/src/argos/argos_pme_start.F index 8f2180e9d5..aec6308f51 100644 --- a/src/argos/argos_pme_start.F +++ b/src/argos/argos_pme_start.F @@ -1,6 +1,6 @@ subroutine argos_pme_start(a,m,imffti,nodpmi, + ngxi,ngyi,ngzi,nwm,nwa,nsa,ictrl,nbgeti) -c $Id: argos_pme_init.F,v 1.23 2004-03-26 23:40:28 d3j191 Exp $ +c $Id$ implicit none c integer nodpmi,ngxi,ngyi,ngzi,imffti,nwm,nwa,nsa,m diff --git a/src/argos/argos_prep_admin.F b/src/argos/argos_prep_admin.F index ff1c8d677b..d1713a7275 100644 --- a/src/argos/argos_prep_admin.F +++ b/src/argos/argos_prep_admin.F @@ -1,6 +1,6 @@ logical function argos_prep_admin(lfncmd,filcmd,lfnout,lfnfrg) c -c $Id: argos_prep_admin.F,v 1.4 2003-10-19 03:30:58 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_align.F b/src/argos/argos_prep_align.F index be169e6551..3ac9b80e87 100644 --- a/src/argos/argos_prep_align.F +++ b/src/argos/argos_prep_align.F @@ -2,7 +2,7 @@ logical function argos_prep_align(card,lfnout, + csa,isat,isgm,xs,vs,msa,nsa,xw,vw,mwm,mwa,nwm,nwa, + xwc,vwc,mwmc,nwmc) c -c $Id: argos_prep_align.F,v 1.4 2001-07-06 03:45:13 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_ang.F b/src/argos/argos_prep_ang.F index 3a1ba8e1f3..0d7eeaece4 100644 --- a/src/argos/argos_prep_ang.F +++ b/src/argos/argos_prep_ang.F @@ -1,6 +1,6 @@ logical function argos_prep_ang(lbnd,mbnd,nbnd,lang,mang,nang) c -c $Id: argos_prep_ang.F,v 1.2 1998-04-29 18:35:11 d3j191 Exp $ +c $Id$ c c function to extend the list of angles from a list of bonds c diff --git a/src/argos/argos_prep_angl.F b/src/argos/argos_prep_angl.F index b69ee7efd4..d27332b19e 100644 --- a/src/argos/argos_prep_angl.F +++ b/src/argos/argos_prep_angl.F @@ -1,6 +1,6 @@ logical function argos_prep_angl(lbnd,mbnd,nbnd,lang,mang,nang) c -c $Id: argos_prep_angl.F,v 1.2 1998-04-29 18:35:11 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_atmscn.F b/src/argos/argos_prep_atmscn.F index 406db7589f..efed3cb761 100644 --- a/src/argos/argos_prep_atmscn.F +++ b/src/argos/argos_prep_atmscn.F @@ -1,6 +1,6 @@ logical function argos_prep_atmscn(lfnsgm,filsgm,atmnam,num,link) c -c $Id: argos_prep_atmscn.F,v 1.4 2003-07-17 19:38:56 d3j191 Exp $ +c $Id$ c implicit none c @@ -52,7 +52,7 @@ logical function argos_prep_atmscn(lfnsgm,filsgm,atmnam,num,link) end character*2 function argos_prep_atnam(number) c -c $Id: argos_prep_atnam.F,v 1.1 1998-04-28 23:10:44 d3j191 Exp $ +c $Id$ c implicit none integer number diff --git a/src/argos/argos_prep_atnum.F b/src/argos/argos_prep_atnum.F index 73af5b3e82..aa2d980978 100644 --- a/src/argos/argos_prep_atnum.F +++ b/src/argos/argos_prep_atnum.F @@ -1,6 +1,6 @@ integer function argos_prep_atnum(element) c -c $Id: argos_prep_atnum.F,v 1.3 1998-09-23 16:17:38 d3j191 Exp $ +c $Id$ c implicit none character*2 element diff --git a/src/argos/argos_prep_atom_index.F b/src/argos/argos_prep_atom_index.F index 60b6d016da..8b944c5943 100644 --- a/src/argos/argos_prep_atom_index.F +++ b/src/argos/argos_prep_atom_index.F @@ -1,6 +1,6 @@ integer function argos_prep_atom_index(card,isegm,csa,msa,nsa) c -c $Id: argos_prep_atom_index.F,v 1.3 2003-10-19 03:30:58 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_atsiz.F b/src/argos/argos_prep_atsiz.F index 004b251dfc..97a906e6d8 100644 --- a/src/argos/argos_prep_atsiz.F +++ b/src/argos/argos_prep_atsiz.F @@ -1,6 +1,6 @@ real*8 function argos_prep_atsiz(number) c -c $Id: argos_prep_atrad.F,v 1.7 2003-10-03 18:48:11 d3j191 Exp $ +c $Id$ c implicit none integer number diff --git a/src/argos/argos_prep_atype.F b/src/argos/argos_prep_atype.F index 082f06a618..bef1cf7b4b 100644 --- a/src/argos/argos_prep_atype.F +++ b/src/argos/argos_prep_atype.F @@ -4,7 +4,7 @@ logical function argos_prep_atype(lfnout,lfnpar, + nring3,nring4,nring5,nring6, + latmt,matmt,natmt,lbndt,mbndt,nbndt) c -c $Id: argos_prep_atype.F,v 1.20 2003-10-19 03:30:58 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_base.F b/src/argos/argos_prep_base.F index 2be5c9416f..97121dd042 100644 --- a/src/argos/argos_prep_base.F +++ b/src/argos/argos_prep_base.F @@ -1,6 +1,6 @@ integer function argos_prep_base(isgm,isegm,csa,msa,nsa) c -c $Id: argos_prep_base.F,v 1.2 2000-12-13 19:59:23 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_bnd.F b/src/argos/argos_prep_bnd.F index fd32a49457..38553138ea 100644 --- a/src/argos/argos_prep_bnd.F +++ b/src/argos/argos_prep_bnd.F @@ -2,7 +2,7 @@ logical function argos_prep_bnd(xatm,latm,catm,matm,natm,ilo,ihi, + xato,lato,cato,mato,nato,lbnd,mbnd,nbnd,maxscf, + llnk,clnk,mlnk,nlnk,iconst,mang,lang,mdih,ldih,itmp) c -c $Id: argos_prep_bnd.F,v 1.17 2003-10-19 03:30:58 d3j191 Exp $ +c $Id$ c c function to append the list of bonds from atomic coordinates c for all atoms i in [ilo,ihi] diff --git a/src/argos/argos_prep_bonds.F b/src/argos/argos_prep_bonds.F index e3158cea0c..1f1d8fa88c 100644 --- a/src/argos/argos_prep_bonds.F +++ b/src/argos/argos_prep_bonds.F @@ -1,7 +1,7 @@ logical function argos_prep_bonds(xatm,latm,matm,ilo,ihi, + lbnd,mbnd,nbnd,llnk,clnk,mlnk,nlnk) c -c $Id: argos_prep_bonds.F,v 1.4 2003-10-19 03:30:58 d3j191 Exp $ +c $Id$ c c function to append the list of bonds from atomic coordinates c for all atoms i in [ilo,ihi] diff --git a/src/argos/argos_prep_boxsiz.F b/src/argos/argos_prep_boxsiz.F index 20c0a88f77..86f6b4f338 100644 --- a/src/argos/argos_prep_boxsiz.F +++ b/src/argos/argos_prep_boxsiz.F @@ -1,7 +1,7 @@ logical function argos_prep_boxsiz(xw,xwc,mwm,mwmc,mwa, + nwm,nwmc,nwa,xs,msa,nsa,box,iopt) c -c $Id: argos_prep_boxsiz.F,v 1.6 2002-01-30 21:08:25 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_center.F b/src/argos/argos_prep_center.F index 724b379a10..3232df6212 100644 --- a/src/argos/argos_prep_center.F +++ b/src/argos/argos_prep_center.F @@ -1,7 +1,7 @@ logical function argos_prep_center(lfnout,xw,mwm,mwa,nwm,nwa, + xwc,mwmc,nwmc,xs,msa,nsa,iopt) c -c $Id: argos_prep_center.F,v 1.14 2002-01-30 20:29:20 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_charge.F b/src/argos/argos_prep_charge.F index 7c5e06dc60..a29f52d636 100644 --- a/src/argos/argos_prep_charge.F +++ b/src/argos/argos_prep_charge.F @@ -2,7 +2,7 @@ logical function argos_prep_charge(irtdb,lfnout,lfnpar, + source,jlo,ilo,ihi,jhi, + latm,catm,xatm,qatm,matm,natm,lbnd,mbnd,nbnd,maxscf,qscale) c -c $Id: argos_prep_charge.F,v 1.30 2004-04-07 19:39:03 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_check.F b/src/argos/argos_prep_check.F index e85b86c914..478797b2d8 100644 --- a/src/argos/argos_prep_check.F +++ b/src/argos/argos_prep_check.F @@ -3,7 +3,7 @@ logical function argos_prep_check(lfnout,nparms,mparms,ignore, + lang,mang,nang,ldih,mdih,ndih,limp,mimp,nimp, + lseq,cseq,mseq,nseq) c -c $Id: argos_prep_check.F,v 1.18 2003-10-17 14:56:06 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_common.fh b/src/argos/argos_prep_common.fh index 85725ead02..a0e1389259 100644 --- a/src/argos/argos_prep_common.fh +++ b/src/argos/argos_prep_common.fh @@ -1,4 +1,4 @@ -c $Id: pre_common.fh,v 1.3 2003-08-12 11:12:26 d3j191 Exp $ +c $Id$ c c general parameters c diff --git a/src/argos/argos_prep_dih.F b/src/argos/argos_prep_dih.F index abfd7b83c4..ce05739bd2 100644 --- a/src/argos/argos_prep_dih.F +++ b/src/argos/argos_prep_dih.F @@ -1,6 +1,6 @@ logical function argos_prep_dih(lang,mang,nang,ldih,mdih,ndih) c -c $Id: argos_prep_dih.F,v 1.2 1998-04-29 18:35:13 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_dihimp.F b/src/argos/argos_prep_dihimp.F index 9bf3aa00af..252ac2f8e5 100644 --- a/src/argos/argos_prep_dihimp.F +++ b/src/argos/argos_prep_dihimp.F @@ -1,7 +1,7 @@ logical function argos_prep_dihimp(latm,matm,natm,lang,mang,nang, + ldih,mdih,ndih,limp,mimp,nimp) c -c $Id: argos_prep_dihimp.F,v 1.6 2003-07-31 04:09:31 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_dihsel.F b/src/argos/argos_prep_dihsel.F index 16a4a39be4..79c8570149 100644 --- a/src/argos/argos_prep_dihsel.F +++ b/src/argos/argos_prep_dihsel.F @@ -1,7 +1,7 @@ logical function argos_prep_dihsel(catm,nparms,nparmsp,matm,natm, + ldih,mdih,ndih) c -c $Id: argos_prep_dihsel.F,v 1.4 2003-07-31 04:09:31 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_dimens.F b/src/argos/argos_prep_dimens.F index d7c5271a68..a13c9ddf3a 100644 --- a/src/argos/argos_prep_dimens.F +++ b/src/argos/argos_prep_dimens.F @@ -1,7 +1,7 @@ logical function argos_prep_dimens(lfnout,lfnsgm, + lseq,cseq,mseq,nseq,natm,nbnd,nang,ndih,nimp,nparms) c -c $Id: argos_prep_dimens.F,v 1.10 2003-10-19 03:30:58 d3j191 Exp $ +c $Id$ c c function to determine total system array dimensions c diff --git a/src/argos/argos_prep_disres.F b/src/argos/argos_prep_disres.F index 50db3439c8..68afdb5e05 100644 --- a/src/argos/argos_prep_disres.F +++ b/src/argos/argos_prep_disres.F @@ -1,7 +1,7 @@ logical function argos_prep_disres(card,card2,isegm,csa,msa,nsa, + inoe,dnoe,mnoe,nnoe) c -c $Id: argos_prep_disres.F,v 1.5 2003-10-19 03:30:58 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_dummy.F b/src/argos/argos_prep_dummy.F index e4d292fd31..704c8c5c5b 100644 --- a/src/argos/argos_prep_dummy.F +++ b/src/argos/argos_prep_dummy.F @@ -4,7 +4,7 @@ logical function argos_prep_dummy(lfnout,latt,catt,patt,ratt, + ldih,nfdih,kdih,rdih,mdih,ndih,limp,kimp,rimp,mimp,nimp, + nparms,mparms) c -c $Id: argos_prep_dummy.F,v 1.5 2003-12-03 05:00:55 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_equiv.F b/src/argos/argos_prep_equiv.F index 7ad976e586..18ea803a0c 100644 --- a/src/argos/argos_prep_equiv.F +++ b/src/argos/argos_prep_equiv.F @@ -1,7 +1,7 @@ logical function argos_prep_equiv(csa,isml,isgm,msa,nsa, + iequi,msm,nsm) c -c $Id: argos_prep_equiv.F,v 1.3 2002-07-17 15:56:55 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_excl.F b/src/argos/argos_prep_excl.F index 8f126e6682..2a764521c6 100644 --- a/src/argos/argos_prep_excl.F +++ b/src/argos/argos_prep_excl.F @@ -2,7 +2,7 @@ logical function argos_prep_excl(l3rd,m3rd,n3rd,lbnd,mbnd,nbnd, + lang,mang,nang,lexc,mexc,nexc,nval,ival,ndx,catt,matt, + lats,nparms,mats,latm,matm,natm,lupdat) c -c $Id: argos_prep_excl.F,v 1.10 2003-11-21 21:16:51 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_ffield.F b/src/argos/argos_prep_ffield.F index d762280ad4..2b8965cc9f 100644 --- a/src/argos/argos_prep_ffield.F +++ b/src/argos/argos_prep_ffield.F @@ -5,7 +5,7 @@ logical function argos_prep_ffield(idir,lfnpar,filep,lfnout, + ldih,nfdih,kdih,rdih,mdih,ndih, + limp,kimp,rimp,mimp,nimp,nparms,mparms) c -c $Id: argos_prep_ffield.F,v 1.25 2003-12-05 20:46:42 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_fix.F b/src/argos/argos_prep_fix.F index b398f9ec46..5c547e0e34 100644 --- a/src/argos/argos_prep_fix.F +++ b/src/argos/argos_prep_fix.F @@ -2,7 +2,7 @@ logical function argos_prep_fix(lfnout,ifix,jfix,rfix,cfix, + iwmr,xw,mwm,mwa,nwm,nwa,iwmrc,xwc,mwmc,nwmc, + isar,isgm,csa,xs,msa,nsa) c -c $Id: argos_prep_fix.F,v 1.9 2003-10-19 03:30:58 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_frgrd.F b/src/argos/argos_prep_frgrd.F index 922bd73924..de89a55b48 100644 --- a/src/argos/argos_prep_frgrd.F +++ b/src/argos/argos_prep_frgrd.F @@ -2,7 +2,7 @@ logical function argos_prep_frgrd(lfn,fil,lfnout,nparms,nparmsp, + latm,catm,qatm,matm,natm,lbnd,mbnd,nbnd,izmat,zmat,mzmat,nzmat, + fils) c -c $Id: argos_prep_frgrd.F,v 1.11 2003-08-07 21:47:55 d3j191 Exp $ +c $Id$ c c function to read dimensions from a frg file c diff --git a/src/argos/argos_prep_frgsiz.F b/src/argos/argos_prep_frgsiz.F index 301e0eed8c..f80bd435fd 100644 --- a/src/argos/argos_prep_frgsiz.F +++ b/src/argos/argos_prep_frgsiz.F @@ -1,7 +1,7 @@ logical function argos_prep_frgsiz(lfn,fil,lfnout, + natm,nbnd,nzmat,nparms,ipardef) c -c $Id: argos_prep_frgsiz.F,v 1.12 2003-08-29 15:32:24 d3j191 Exp $ +c $Id$ c c function to read dimensions from a frg file c diff --git a/src/argos/argos_prep_gensgm.F b/src/argos/argos_prep_gensgm.F index a0115a2f08..79e30f5da2 100644 --- a/src/argos/argos_prep_gensgm.F +++ b/src/argos/argos_prep_gensgm.F @@ -1,7 +1,7 @@ logical function argos_prep_gensgm(lfnout,lfnfrg,lfnsgm, + lsgm,csgm,msgm,nsgm) c -c $Id: argos_prep_gensgm.F,v 1.10 2003-10-19 03:30:58 d3j191 Exp $ +c $Id$ c c function to generate segment files c diff --git a/src/argos/argos_prep_his.F b/src/argos/argos_prep_his.F index 5252355504..33a3fd8204 100644 --- a/src/argos/argos_prep_his.F +++ b/src/argos/argos_prep_his.F @@ -1,7 +1,7 @@ logical function argos_prep_his(num,mat, + csa,isat,isgm,imol,ifra,xs,msa,nsa) c -c $Id: argos_prep_his.F,v 1.1 2003-10-17 14:56:06 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_hnames.F b/src/argos/argos_prep_hnames.F index 4205f77039..bb34625795 100644 --- a/src/argos/argos_prep_hnames.F +++ b/src/argos/argos_prep_hnames.F @@ -1,7 +1,7 @@ logical function argos_prep_hnames(latm,catm,matm,natm, + lbnd,mbnd,nbnd) c -c $Id: argos_prep_hnames.F,v 1.2 1998-04-29 18:35:16 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_hybrid.F b/src/argos/argos_prep_hybrid.F index 6af7b37f64..8758e8a1f3 100644 --- a/src/argos/argos_prep_hybrid.F +++ b/src/argos/argos_prep_hybrid.F @@ -1,7 +1,7 @@ logical function argos_prep_hybrid(xatm,latm,matm,natm, + lbnd,mbnd,nbnd) c -c $Id: argos_prep_hybrid.F,v 1.11 2000-07-06 18:48:56 d3j191 Exp $ +c $Id$ c c in : xatm(3,matm) = atomic coordinates c : latm(2,matm) = atomic numbers diff --git a/src/argos/argos_prep_imp.F b/src/argos/argos_prep_imp.F index 70383175f9..6d9d936572 100644 --- a/src/argos/argos_prep_imp.F +++ b/src/argos/argos_prep_imp.F @@ -1,7 +1,7 @@ logical function argos_prep_imp(latm,matm,natm,lbnd,mbnd,nbnd, + limp,mimp,nimp) c -c $Id: argos_prep_imp.F,v 1.7 2003-07-31 04:09:31 d3j191 Exp $ +c $Id$ c implicit none #include "argos_prep_common.fh" diff --git a/src/argos/argos_prep_impctr.F b/src/argos/argos_prep_impctr.F index 6934d55d34..f68268a6b0 100644 --- a/src/argos/argos_prep_impctr.F +++ b/src/argos/argos_prep_impctr.F @@ -2,7 +2,7 @@ logical function argos_prep_impctr(lfnout,latm,matm, + jlo,ilo,ihi,jhi,lbnd,mbnd,nbnd,lang,mang,nang,ldih,mdih,ndih, + lring,aring,mring,nring3,nring4,nring5,nring6) c -c $Id: argos_prep_impctr.F,v 1.6 2003-10-19 03:30:58 d3j191 Exp $ +c $Id$ c c function to determine the center type c diff --git a/src/argos/argos_prep_input.F b/src/argos/argos_prep_input.F index 6e6641eee2..5f62235154 100644 --- a/src/argos/argos_prep_input.F +++ b/src/argos/argos_prep_input.F @@ -1,6 +1,6 @@ subroutine argos_prep_input(irtdb) c -c $Id: argos_prep_input.F,v 1.127 2008-08-21 22:26:53 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_links.F b/src/argos/argos_prep_links.F index dbb71e6119..df85bf8466 100644 --- a/src/argos/argos_prep_links.F +++ b/src/argos/argos_prep_links.F @@ -2,7 +2,7 @@ logical function argos_prep_links(lfnout,lfnmod,filmod, + xatm,catm,latm,matm,lseq,cseq,mseq,nseq, + llnk,clnk,mlnk,nlnk,nlnkf) c -c $Id: argos_prep_links.F,v 1.22 2003-10-31 03:12:01 d3j191 Exp $ +c $Id$ c c function to scan database for link segments in sequence c diff --git a/src/argos/argos_prep_merge.F b/src/argos/argos_prep_merge.F index d7505c34f6..dad645442e 100644 --- a/src/argos/argos_prep_merge.F +++ b/src/argos/argos_prep_merge.F @@ -1,7 +1,7 @@ integer function argos_prep_merge(iunit,xmerge,filnam, + lfnout,lfnpdb,namslv,inum,lrgpdb) c -c $Id: argos_prep_merge.F,v 1.7 2003-10-31 21:32:47 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_misfit.F b/src/argos/argos_prep_misfit.F index 596f0249c2..8aae4efc9f 100644 --- a/src/argos/argos_prep_misfit.F +++ b/src/argos/argos_prep_misfit.F @@ -3,7 +3,7 @@ logical function argos_prep_misfit(lfnout,lfnmat, + idsb,cdsb,msb,nsb,grid,mgrid,ngrid,gdist,nmis,iwater,iwfnd,xw, + qwa,mwm,mwa,nwm,nwa,npbtyp,box,fcount,nrgrid,iogrid,rogrid) c -c $Id: argos_prep_misfit.F,v 1.40 2004-04-20 14:46:24 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_mkfrg.F b/src/argos/argos_prep_mkfrg.F index 896cfe960f..dfae8ea83e 100644 --- a/src/argos/argos_prep_mkfrg.F +++ b/src/argos/argos_prep_mkfrg.F @@ -5,7 +5,7 @@ logical function argos_prep_mkfrg(irtdb,source,iunit,lfnpar, + lang,mang,ldih,mdih,limp,mimp, + maxscf,qscale,llnk,clnk,mlnk,nlnk) c -c $Id: argos_prep_mkfrg.F,v 1.43 2003-10-19 03:30:58 d3j191 Exp $ +c $Id$ c c function to prepare missing fragment definitions c diff --git a/src/argos/argos_prep_mklist.F b/src/argos/argos_prep_mklist.F index c3abdbc2d0..2cf8a8707b 100644 --- a/src/argos/argos_prep_mklist.F +++ b/src/argos/argos_prep_mklist.F @@ -10,7 +10,7 @@ logical function argos_prep_mklist(lfnout,lfnsgm,lfnmat, + natmt,nbndt,nangt,ndiht,nimpt,wcorr, + nval,ival,rval,ndx,itopol) c -c $Id: argos_prep_mklist.F,v 1.32 2003-12-03 05:00:55 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_mknoe.F b/src/argos/argos_prep_mknoe.F index 94568be03c..b638f5e70b 100644 --- a/src/argos/argos_prep_mknoe.F +++ b/src/argos/argos_prep_mknoe.F @@ -2,7 +2,7 @@ logical function argos_prep_mknoe(lfnout,lfntop, + filtop,lfncmd,filcmd, + lfnnoe,filnoe,mnoe,lfnpmf,filpmf,slvnam) c -c $Id: argos_prep_mknoe.F,v 1.34 2003-10-19 03:30:58 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_mkrst.F b/src/argos/argos_prep_mkrst.F index 14346615de..6fc123c756 100644 --- a/src/argos/argos_prep_mkrst.F +++ b/src/argos/argos_prep_mkrst.F @@ -5,7 +5,7 @@ logical function argos_prep_mkrst(irtdb,title,mdold,source,lfnout, + chain,model,lfnxyz,filxyz,lfnqqq,filqqq,lfnpov,filpov,scale,cpk, + lfnmat,lfnmrg,nmerge,xmerge,filmrg,fcount,lfnmod,filmod,itopol) c -c $Id: argos_prep_mkrst.F,v 1.99 2006-07-20 14:18:53 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_mkseq.F b/src/argos/argos_prep_mkseq.F index 59d3400afe..6f4ed40788 100644 --- a/src/argos/argos_prep_mkseq.F +++ b/src/argos/argos_prep_mkseq.F @@ -4,7 +4,7 @@ logical function argos_prep_mkseq(irtdb,lfnout,source,sysnam, + slvnam,slvmdl,maxscf,qscale,altloc,chain,icyren,model,nxlnk, + mcount,ncount,icount,scount,mfract,nfract,ifract,iconst,his) c -c $Id: argos_prep_mkseq.F,v 1.42 2003-10-19 03:30:58 d3j191 Exp $ +c $Id$ c c in : integer lfnout = logical file number output file c integer lfnpdb = logical file number for pdb file diff --git a/src/argos/argos_prep_mksgm.F b/src/argos/argos_prep_mksgm.F index 17ca3d7664..f5dc903da5 100644 --- a/src/argos/argos_prep_mksgm.F +++ b/src/argos/argos_prep_mksgm.F @@ -1,7 +1,7 @@ logical function argos_prep_mksgm(lfnout,lfnfrg,filfrg, + lfnsgm,filsgm) c -c $Id: argos_prep_mksgm.F,v 1.18 2006-02-10 17:26:42 d3j191 Exp $ +c $Id$ c c function to make segment file c diff --git a/src/argos/argos_prep_mktop.F b/src/argos/argos_prep_mktop.F index 522efab9a2..5f18f85e73 100644 --- a/src/argos/argos_prep_mktop.F +++ b/src/argos/argos_prep_mktop.F @@ -3,7 +3,7 @@ logical function argos_prep_mktop(lfnout,title,nparms,mparms, + lfnmod,filmod,lfnmat,lfnhdb,lfnhop,filhop, + lfnbsg,filbsg,ignore,slvnam,itopol,icomb) c -c $Id: argos_prep_mktop.F,v 1.39 2008-08-21 16:27:14 d3j191 Exp $ +c $Id$ c c in : integer lfnout = logical file number output file c char*80 ffield = force field from [amber] diff --git a/src/argos/argos_prep_modify.F b/src/argos/argos_prep_modify.F index d8b867640f..4d0aefc7fd 100644 --- a/src/argos/argos_prep_modify.F +++ b/src/argos/argos_prep_modify.F @@ -4,7 +4,7 @@ logical function argos_prep_modify(iwhich,lfnout,lfnmod,filmod, + ldih,nfdih,kdih,rdih,mdih,ndih,ndiht,limp,kimp,rimp,mimp,nimp, + nimpt,lupdat) c -c $Id: argos_prep_modify.F,v 1.19 2003-12-03 05:00:56 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_multip.F b/src/argos/argos_prep_multip.F index 8587689f18..9944bdf25e 100644 --- a/src/argos/argos_prep_multip.F +++ b/src/argos/argos_prep_multip.F @@ -2,7 +2,7 @@ logical function argos_prep_multip(lseq,mseq,nseq,latm,matm,natm, + lang,mang,nang,ldih,mdih,ndih,limp,mimp,nimp) c c -c $Id: argos_prep_multip.F,v 1.1 2003-07-17 19:38:57 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_namiup.F b/src/argos/argos_prep_namiup.F index 3c57c35516..7b2ec73de5 100644 --- a/src/argos/argos_prep_namiup.F +++ b/src/argos/argos_prep_namiup.F @@ -1,7 +1,7 @@ logical function argos_prep_namiup(lfnout, + lseq,cseq,mseq,nseq,latm,catm,matm,natm) c -c $Id: argos_prep_namiup.F,v 1.12 2003-07-23 02:38:46 d3j191 Exp $ +c $Id$ c c function to comply with IUPAC atom naming c diff --git a/src/argos/argos_prep_natyps.F b/src/argos/argos_prep_natyps.F index 5e7126a06f..e01d1c0bc3 100644 --- a/src/argos/argos_prep_natyps.F +++ b/src/argos/argos_prep_natyps.F @@ -1,7 +1,7 @@ logical function argos_prep_natyps(lfnout,nparms,mparms, + catm,matm,natm,natt,nats) c -c $Id: argos_prep_natyps.F,v 1.6 2003-07-17 19:38:57 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_nonbon.F b/src/argos/argos_prep_nonbon.F index daadd58a48..186d96734c 100644 --- a/src/argos/argos_prep_nonbon.F +++ b/src/argos/argos_prep_nonbon.F @@ -1,7 +1,7 @@ logical function argos_prep_nonbon(iatm,natm,lbnd,mbnd,ibnd,nbnd, + lang,mang,iang,nang,l3rd,m3rd,i3rd,n3rd,lnon,mnon,nnon) c -c $Id: argos_prep_nonbon.F,v 1.2 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_nucleic.F b/src/argos/argos_prep_nucleic.F index e62a80483d..2fbb611c0e 100644 --- a/src/argos/argos_prep_nucleic.F +++ b/src/argos/argos_prep_nucleic.F @@ -1,6 +1,6 @@ logical function argos_prep_nucleic(sgmnam) c -c $Id: argos_prep_nucleic.F,v 1.2 2003-07-23 02:38:46 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_orient.F b/src/argos/argos_prep_orient.F index 5f5f935b85..2727771567 100644 --- a/src/argos/argos_prep_orient.F +++ b/src/argos/argos_prep_orient.F @@ -1,7 +1,7 @@ logical function argos_prep_orient(lfnout,xw,mwm,mwa,nwm,nwa, + xwc,mwmc,nwmc,xs,msa,nsa) c -c $Id: argos_prep_orient.F,v 1.5 2001-07-06 03:45:13 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_params.F b/src/argos/argos_prep_params.F index 7ff7c0a8de..8bf2151661 100644 --- a/src/argos/argos_prep_params.F +++ b/src/argos/argos_prep_params.F @@ -6,7 +6,7 @@ logical function argos_prep_params(lfnpar,lfnout,nparms,mparms, + latt,lats,catt,patt,ratt,matt,natt,mats,nats, + lseq,cseq,mseq,nseq,icomb) c -c $Id: argos_prep_params.F,v 1.20 2003-12-05 20:46:42 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_parcnv.F b/src/argos/argos_prep_parcnv.F index 9191e49d9f..defe889f7a 100644 --- a/src/argos/argos_prep_parcnv.F +++ b/src/argos/argos_prep_parcnv.F @@ -1,6 +1,6 @@ logical function argos_prep_parcnv(icomb,latt,patt,catt,matt,natt) c -c $Id: argos_prep_parcnv.F,v 1.7 2002-02-09 05:48:17 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_parcom.F b/src/argos/argos_prep_parcom.F index 5d6e02077c..461e9cdd98 100644 --- a/src/argos/argos_prep_parcom.F +++ b/src/argos/argos_prep_parcom.F @@ -1,6 +1,6 @@ logical function argos_prep_parcnv(icomb,latt,patt,catt,matt,natt) c -c $Id: argos_prep_parcnv.F,v 1.7 2002-02-09 05:48:17 d3j191 Exp $ +c $Id$ c implicit none c @@ -105,7 +105,7 @@ logical function argos_prep_parcnv(icomb,latt,patt,catt,matt,natt) end logical function argos_prep_parcnv(icomb,latt,patt,matt,natt) c -c $Id: argos_prep_parcom.F,v 1.2 1998-04-29 18:35:20 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_paths.F b/src/argos/argos_prep_paths.F index b97f3e7ddb..3811e2e586 100644 --- a/src/argos/argos_prep_paths.F +++ b/src/argos/argos_prep_paths.F @@ -1,6 +1,6 @@ logical function argos_prep_paths() c -c $Id: argos_prep_paths.F,v 1.2 2003-08-01 00:02:37 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_paths2.F b/src/argos/argos_prep_paths2.F index 55699d13d4..7df56ec1ad 100644 --- a/src/argos/argos_prep_paths2.F +++ b/src/argos/argos_prep_paths2.F @@ -1,6 +1,6 @@ logical function argos_prep_paths2(irtdb) c -c $Id: argos_prep_paths2.F,v 1.3 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_pdbseq.F b/src/argos/argos_prep_pdbseq.F index 67f74e0338..d32b637734 100644 --- a/src/argos/argos_prep_pdbseq.F +++ b/src/argos/argos_prep_pdbseq.F @@ -2,7 +2,7 @@ logical function argos_prep_pdbseq(iunit,filnam,lfnout, + model,namslv,lseq,cseq,mseq,nseq,latm,catm,xatm,matm,natm, + lssb,mssb,nssb,llnk,clnk,mlnk,nlnk,altloc,chain) c -c $Id: argos_prep_pdbseq.F,v 1.25 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c c function to read sequence from a pdb formatted file c diff --git a/src/argos/argos_prep_pdbsiz.F b/src/argos/argos_prep_pdbsiz.F index 9dd31b2dc5..92ee7fbcfd 100644 --- a/src/argos/argos_prep_pdbsiz.F +++ b/src/argos/argos_prep_pdbsiz.F @@ -1,7 +1,7 @@ logical function argos_prep_pdbsiz(iunit,filnam,lfnout, + model,natm,nseq,nssb,nlnk,namslv,numslv,altloc,chain) c -c $Id: argos_prep_pdbsiz.F,v 1.17 2003-07-17 19:38:57 d3j191 Exp $ +c $Id$ c c function to read dimensions from a pdb formatted file c diff --git a/src/argos/argos_prep_protein.F b/src/argos/argos_prep_protein.F index 853c7d2dcd..61c819bb98 100644 --- a/src/argos/argos_prep_protein.F +++ b/src/argos/argos_prep_protein.F @@ -1,6 +1,6 @@ logical function argos_prep_protein(sgmnam) c -c $Id: argos_prep_protein.F,v 1.2 2003-07-23 02:38:46 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_rdgeom.F b/src/argos/argos_prep_rdgeom.F index 25d8212616..f9e72a4a76 100644 --- a/src/argos/argos_prep_rdgeom.F +++ b/src/argos/argos_prep_rdgeom.F @@ -1,7 +1,7 @@ logical function argos_prep_rdgeom(irtdb,csa,isar, + isgm,isfnd,xs,vs,msa,nsa,nmis,msm,nsm) c -c $Id: argos_prep_rdgeom.F,v 1.4 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_rdpdb.F b/src/argos/argos_prep_rdpdb.F index 5ae1165908..3898996d87 100644 --- a/src/argos/argos_prep_rdpdb.F +++ b/src/argos/argos_prep_rdpdb.F @@ -4,7 +4,7 @@ logical function argos_prep_rdpdb(lfnout,filpdb,lfnpdb, + xw,vw,cwa,mwm,mwa,nwm,nwa,namslv,iwater,altloc,chain,model,box, + lpdbbx) c -c $Id: argos_prep_rdpdb.F,v 1.25 2003-11-11 20:30:50 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_rdrst.F b/src/argos/argos_prep_rdrst.F index d69a765ec0..7bba4fffee 100644 --- a/src/argos/argos_prep_rdrst.F +++ b/src/argos/argos_prep_rdrst.F @@ -4,7 +4,7 @@ logical function argos_prep_rdrst(lfnout,lfnrst,filrst, + isar,xs,vs,msa,nsa, + inoe,dnoe,mnoe,noe,msm,nsm,mseq,nseq,lseq,ips) c -c $Id: argos_prep_rdrst.F,v 1.15 2003-07-17 19:38:57 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_rdseq.F b/src/argos/argos_prep_rdseq.F index bc9e80931d..90cac4d4a9 100644 --- a/src/argos/argos_prep_rdseq.F +++ b/src/argos/argos_prep_rdseq.F @@ -1,7 +1,7 @@ logical function argos_prep_rdseq(lfnout,lfnseq,filseq, + lseq,cseq,mseq,nseq,llnk,clnk,mlnk,nlnk) c -c $Id: argos_prep_rdseq.F,v 1.15 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c c function to read the sequence file c diff --git a/src/argos/argos_prep_rdsgm.F b/src/argos/argos_prep_rdsgm.F index b0f330de96..3bce404314 100644 --- a/src/argos/argos_prep_rdsgm.F +++ b/src/argos/argos_prep_rdsgm.F @@ -6,7 +6,7 @@ logical function argos_prep_rdsgm(lfnout,nparms,mparms, + limp,kimp,rimp,mimp,nimp, + wcorr,npar,ipardef,itopol) c -c $Id: argos_prep_rdsgm.F,v 1.20 2003-12-03 05:00:56 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_removw.F b/src/argos/argos_prep_removw.F index b760fc1f48..0ab73617a5 100644 --- a/src/argos/argos_prep_removw.F +++ b/src/argos/argos_prep_removw.F @@ -1,7 +1,7 @@ logical function argos_prep_removw(ir,xr, + xw,vw,mwm,mwa,nwm,nwa,xwc,vwc,mwmc,nwmc,xs,msa,nsa) c -c $Id: argos_prep_removw.F,v 1.3 2004-02-14 20:09:18 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_rename.F b/src/argos/argos_prep_rename.F index b3b9126129..c87088f804 100644 --- a/src/argos/argos_prep_rename.F +++ b/src/argos/argos_prep_rename.F @@ -2,7 +2,7 @@ logical function argos_prep_rename(lfnout,lfnmod,filmod, + lseq,cseq,mseq,nseq,latm,catm,matm,natm, + llnk,clnk,mlnk,nlnk,icyren,his) c -c $Id: argos_prep_rename.F,v 1.21 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c c function to comply with ffield segment names c diff --git a/src/argos/argos_prep_repeat.F b/src/argos/argos_prep_repeat.F index b93deedc48..f144eb2ff3 100644 --- a/src/argos/argos_prep_repeat.F +++ b/src/argos/argos_prep_repeat.F @@ -2,7 +2,7 @@ logical function argos_prep_repeat(card,lfnout,drep,box, + csa,isat,isgm,xs,vs,msa,nsa,xw,vw,mwm,mwa,nwm,nwa, + xwc,vwc,mwmc,nwmc) c -c $Id: argos_prep_repeat.F,v 1.8 2001-07-06 03:45:14 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_rot.F b/src/argos/argos_prep_rot.F index 8e01b59de0..9ad5242b7f 100644 --- a/src/argos/argos_prep_rot.F +++ b/src/argos/argos_prep_rot.F @@ -1,6 +1,6 @@ logical function argos_prep_rot(irot,jrot,arot,xrot,is,xs,msa,nsa) c -c $Id: argos_prep_rot.F,v 1.5 2003-09-02 22:53:06 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_rotate.F b/src/argos/argos_prep_rotate.F index 3691a28370..98b0fe101b 100644 --- a/src/argos/argos_prep_rotate.F +++ b/src/argos/argos_prep_rotate.F @@ -1,7 +1,7 @@ subroutine argos_prep_rotate(o,p,angle,xw,mwm,mwa,nwm, + nwa,xwc,mwmc,nwmc,xs,msa,nsa) c -c $Id: argos_prep_rotate.F,v 1.2 1998-04-29 18:35:23 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_rrst.F b/src/argos/argos_prep_rrst.F index 1e609b1139..2c98dae451 100644 --- a/src/argos/argos_prep_rrst.F +++ b/src/argos/argos_prep_rrst.F @@ -4,7 +4,7 @@ logical function argos_prep_rrst(lfnout,lfnrst,filrst, + isar,xs,vs,msa,nsa, + inoe,dnoe,mnoe,noe,msm,nsm) c -c $Id: argos_prep_rdrst.F,v 1.15 2003-07-17 19:38:57 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_rstmod.F b/src/argos/argos_prep_rstmod.F index 3c7b514802..245335d819 100644 --- a/src/argos/argos_prep_rstmod.F +++ b/src/argos/argos_prep_rstmod.F @@ -1,7 +1,7 @@ logical function argos_prep_rstmod(lseq,mseq,nseq, + lfnmod,filmod,lfnout) c -c $Id: argos_prep_rstmod.F,v 1.1 2003-07-17 19:38:57 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_rstsiz.F b/src/argos/argos_prep_rstsiz.F index b765ac6107..d8c335337c 100644 --- a/src/argos/argos_prep_rstsiz.F +++ b/src/argos/argos_prep_rstsiz.F @@ -1,6 +1,6 @@ logical function argos_prep_rstsiz(lfnrst,filrst,nwm,nwa,nsa,nwmc) c -c $Id: argos_prep_rstsiz.F,v 1.7 2000-01-21 07:45:11 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_rstsz.F b/src/argos/argos_prep_rstsz.F index 858a2a2224..1bae389d31 100644 --- a/src/argos/argos_prep_rstsz.F +++ b/src/argos/argos_prep_rstsz.F @@ -1,6 +1,6 @@ logical function argos_prep_rstsz(lfnrst,filrst,nwm,nwa,nsa,nwmc) c -c $Id: argos_prep_rstsiz.F,v 1.7 2000-01-21 07:45:11 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_rtdbin.F b/src/argos/argos_prep_rtdbin.F index 06ca5415ef..decad63478 100644 --- a/src/argos/argos_prep_rtdbin.F +++ b/src/argos/argos_prep_rtdbin.F @@ -6,7 +6,7 @@ logical function argos_prep_rtdbin(irtdb,title, + altloc,chain,icyren,iconst,model,nxlnk,mdold,ignore,scount, + fcount,mfract,nfract,ifract,scale,cpk,his,itopol,icomb) c -c $Id: argos_prep_rtdbin.F,v 1.39 2003-12-05 20:46:42 d3j191 Exp $ +c $Id$ c c function to read input for prepare module from rtdb c diff --git a/src/argos/argos_prep_rtdbsq.F b/src/argos/argos_prep_rtdbsq.F index 07868a9ba1..fa2513e358 100644 --- a/src/argos/argos_prep_rtdbsq.F +++ b/src/argos/argos_prep_rtdbsq.F @@ -1,7 +1,7 @@ logical function argos_prep_rtdbsq(irtdb,igeom,lfnout,sysnam, + lseq,cseq,mseq,nseq,latm,catm,xatm,matm,natm) c -c $Id: argos_prep_rtdbsq.F,v 1.10 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c c function to read sequence from the rtdb c diff --git a/src/argos/argos_prep_scnseq.F b/src/argos/argos_prep_scnseq.F index 7e4d30481f..dc871617cb 100644 --- a/src/argos/argos_prep_scnseq.F +++ b/src/argos/argos_prep_scnseq.F @@ -1,7 +1,7 @@ logical function argos_prep_scnseq(iunit,dirnam,lfnout, + kseq,cseq,mseq,ksgm,csgm,msgm) c -c $Id: argos_prep_scnseq.F,v 1.5 1998-06-08 23:29:37 d3j191 Exp $ +c $Id$ c c function to scan database for segments in sequence c diff --git a/src/argos/argos_prep_select.F b/src/argos/argos_prep_select.F index 7c089e6f02..e3335926d6 100644 --- a/src/argos/argos_prep_select.F +++ b/src/argos/argos_prep_select.F @@ -1,7 +1,7 @@ logical function argos_prep_select(card,isegm,ismol,csa,msa,nsa, + maxgrp,maxatm,igroup,lgroup,mgroup) c -c $Id: argos_prep_select.F,v 1.16 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_seqsiz.F b/src/argos/argos_prep_seqsiz.F index a13bc5084e..291e8fb410 100644 --- a/src/argos/argos_prep_seqsiz.F +++ b/src/argos/argos_prep_seqsiz.F @@ -1,6 +1,6 @@ logical function argos_prep_seqsiz(lfnout,lfnseq,filseq,nseq,nlnk) c -c $Id: argos_prep_seqsiz.F,v 1.6 1998-09-16 22:16:41 d3j191 Exp $ +c $Id$ c c function to scan the sequence file for the number of segments c diff --git a/src/argos/argos_prep_sgmfil.F b/src/argos/argos_prep_sgmfil.F index bcc008cd39..5444c105d8 100644 --- a/src/argos/argos_prep_sgmfil.F +++ b/src/argos/argos_prep_sgmfil.F @@ -1,6 +1,6 @@ logical function argos_prep_sgmfil(sgmnam,lfnsgm,filsgm) c -c $Id: argos_prep_sgmfil.F,v 1.6 2003-07-23 02:38:47 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_sgmndx.F b/src/argos/argos_prep_sgmndx.F index ae7069fa39..1dd9de07be 100644 --- a/src/argos/argos_prep_sgmndx.F +++ b/src/argos/argos_prep_sgmndx.F @@ -1,7 +1,7 @@ logical function argos_prep_sgmndx(iunit, + lfnout,lseq,cseq,mseq,nseq,lsgm,csgm,msgm,nsgm,mato) c -c $Id: argos_prep_sgmndx.F,v 1.14 2003-07-23 02:38:47 d3j191 Exp $ +c $Id$ c c function to scan database directories for segments in sequence c diff --git a/src/argos/argos_prep_sgmnum.F b/src/argos/argos_prep_sgmnum.F index 279dd0e155..1eb4b27e4f 100644 --- a/src/argos/argos_prep_sgmnum.F +++ b/src/argos/argos_prep_sgmnum.F @@ -1,7 +1,7 @@ logical function argos_prep_sgmnum(lfnout, + lseq,cseq,mseq,nseq,nsgm) c -c $Id: argos_prep_sgmnum.F,v 1.7 2003-07-17 19:38:57 d3j191 Exp $ +c $Id$ c c function to scan database for unique segments in sequence c diff --git a/src/argos/argos_prep_sgmsiz.F b/src/argos/argos_prep_sgmsiz.F index e3eda742f5..cb97a971f5 100644 --- a/src/argos/argos_prep_sgmsiz.F +++ b/src/argos/argos_prep_sgmsiz.F @@ -1,7 +1,7 @@ logical function argos_prep_sgmsiz(lfnsgm,filsgm, + natm,nbnd,nang,ndih,nimp,nparms) c -c $Id: argos_prep_sgmsiz.F,v 1.4 2003-07-17 19:38:57 d3j191 Exp $ +c $Id$ c c function to determine dimensions for segment c diff --git a/src/argos/argos_prep_short.F b/src/argos/argos_prep_short.F index c7d46cc2f5..3943527b4d 100644 --- a/src/argos/argos_prep_short.F +++ b/src/argos/argos_prep_short.F @@ -1,7 +1,7 @@ logical function argos_prep_short(xatm,latm,matm,ilo,ihi,jlo,jhi, + ishort,jshort,rshort) c -c $Id: argos_prep_short.F,v 1.11 2003-11-01 00:35:44 d3j191 Exp $ +c $Id$ c c function to find atom ishort in [ilo:ihi] and jshort in [jlo,jhi] c with the shortest distance rshort in nm diff --git a/src/argos/argos_prep_shorts.F b/src/argos/argos_prep_shorts.F index dc77a71f89..e902886eea 100644 --- a/src/argos/argos_prep_shorts.F +++ b/src/argos/argos_prep_shorts.F @@ -1,7 +1,7 @@ integer function argos_prep_shorts(xatm,latm,matm,ilo,ihi,jlo,jhi, + ishort,jshort,rshort) c -c $Id: argos_prep_short.F,v 1.11 2003-11-01 00:35:44 d3j191 Exp $ +c $Id$ c c function to find atom ishort in [ilo:ihi] and jshort in [jlo,jhi] c with the shortest distance rshort in nm diff --git a/src/argos/argos_prep_slvnum.F b/src/argos/argos_prep_slvnum.F index 448c5980ae..154d05fb86 100644 --- a/src/argos/argos_prep_slvnum.F +++ b/src/argos/argos_prep_slvnum.F @@ -1,6 +1,6 @@ logical function argos_prep_slvnum(islv,boxs,nwms,box,nwm) c -c $Id: argos_prep_slvnum.F,v 1.3 1998-11-18 01:19:57 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_slvrd.F b/src/argos/argos_prep_slvrd.F index 6c2f33dc38..7787fab9aa 100644 --- a/src/argos/argos_prep_slvrd.F +++ b/src/argos/argos_prep_slvrd.F @@ -1,7 +1,7 @@ logical function argos_prep_slvrd(lfnslv,filslv, + xw,vw,mwm,mwa,nwm,nwa,box) c -c $Id: argos_prep_slvrd.F,v 1.4 2000-01-10 21:36:42 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_slvsiz.F b/src/argos/argos_prep_slvsiz.F index db51a55d5f..ccb9f770ff 100644 --- a/src/argos/argos_prep_slvsiz.F +++ b/src/argos/argos_prep_slvsiz.F @@ -1,6 +1,6 @@ logical function argos_prep_slvsiz(lfnslv,filslv,nwm,nwa) c -c $Id: argos_prep_slvsiz.F,v 1.3 2000-01-10 19:47:39 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_solvat.F b/src/argos/argos_prep_solvat.F index 7e29c0603b..91b479f3c2 100644 --- a/src/argos/argos_prep_solvat.F +++ b/src/argos/argos_prep_solvat.F @@ -2,7 +2,7 @@ logical function argos_prep_solvat(islv,lfnout,boxs,xslv,vslv, + mwms,mwa,nwms,nwa,touch,box,iwmr,xw,vw, + mwm,nwm,xs,msa,nsa,xwc,vwc,mwmc,nwmc) c -c $Id: argos_prep_solvat.F,v 1.10 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_task.F b/src/argos/argos_prep_task.F index a3a14bec54..caef20c8a0 100644 --- a/src/argos/argos_prep_task.F +++ b/src/argos/argos_prep_task.F @@ -1,6 +1,6 @@ logical function argos_prep_task(irtdb,itask,lfnout) c -c $Id: argos_prep_task.F,v 1.6 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_task1.F b/src/argos/argos_prep_task1.F index aa826342c4..abd8238663 100644 --- a/src/argos/argos_prep_task1.F +++ b/src/argos/argos_prep_task1.F @@ -1,6 +1,6 @@ logical function argos_prep_task1(irtdb) c -c $Id: argos_prep_task1.F,v 1.6 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_term.F b/src/argos/argos_prep_term.F index f1b8e103fe..83821fe808 100644 --- a/src/argos/argos_prep_term.F +++ b/src/argos/argos_prep_term.F @@ -1,7 +1,7 @@ logical function argos_prep_term(lfnout,lfnsgm, + lseq,cseq,mseq,nseq,llnk,clnk,mlnk,nlnk) c -c $Id: argos_prep_term.F,v 1.15 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c c function to determine the terminal segments c diff --git a/src/argos/argos_prep_third.F b/src/argos/argos_prep_third.F index 977b2232c9..0401c13258 100644 --- a/src/argos/argos_prep_third.F +++ b/src/argos/argos_prep_third.F @@ -1,7 +1,7 @@ logical function argos_prep_third(lbnd,mbnd,nbnd,lang,mang,nang, + l3rd,m3rd,n3rd,ib,ia,i3,nval,ival,ndx,natm) c -c $Id: argos_prep_third.F,v 1.7 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_toprd.F b/src/argos/argos_prep_toprd.F index 7eba00c2b0..feed7de56c 100644 --- a/src/argos/argos_prep_toprd.F +++ b/src/argos/argos_prep_toprd.F @@ -3,7 +3,7 @@ logical function argos_prep_toprd(lfntop,filtop,lfnout, + csa,qsa,msa,nsa,nsm, + idsb,cdsb,msb,nsb,qu,nqu,slvnam,mseq,nseq,lseq,ihop,istat) c -c $Id: argos_prep_toprd.F,v 1.22 2003-11-04 04:06:44 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_topsiz.F b/src/argos/argos_prep_topsiz.F index 8fc7be692b..e5994a5ae8 100644 --- a/src/argos/argos_prep_topsiz.F +++ b/src/argos/argos_prep_topsiz.F @@ -1,7 +1,7 @@ logical function argos_prep_topsiz(lfntop,filtop,lfnout, + nat,nsa,nwa,nsb,nqu,nseq) c -c $Id: argos_prep_topsiz.F,v 1.7 2003-07-17 19:38:57 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_torang.F b/src/argos/argos_prep_torang.F index 04ba10063b..537ff80b90 100644 --- a/src/argos/argos_prep_torang.F +++ b/src/argos/argos_prep_torang.F @@ -1,6 +1,6 @@ logical function argos_prep_torang(x,mx,ia,ja,ka,la,angle) c -c $Id: argos_prep_torang.F,v 1.2 1998-04-29 18:35:29 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_transl.F b/src/argos/argos_prep_transl.F index b12ea2cbaf..b25125a20b 100644 --- a/src/argos/argos_prep_transl.F +++ b/src/argos/argos_prep_transl.F @@ -1,7 +1,7 @@ logical function argos_prep_transl(itran,jtran, + xtran,is,xs,msa,nsa) c -c $Id: argos_prep_transl.F,v 1.2 2002-04-10 03:13:34 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_wrtnam.F b/src/argos/argos_prep_wrtnam.F index 0f9eb087e7..62a6da473f 100644 --- a/src/argos/argos_prep_wrtnam.F +++ b/src/argos/argos_prep_wrtnam.F @@ -1,7 +1,7 @@ logical function argos_prep_wrtnam(lfnout,lfntmp, + filtmp,catm,matm,natm) c -c $Id: argos_prep_wrtnam.F,v 1.5 2001-07-06 03:45:14 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_wrtpdb.F b/src/argos/argos_prep_wrtpdb.F index 1fdf82275e..07baa9cebf 100644 --- a/src/argos/argos_prep_wrtpdb.F +++ b/src/argos/argos_prep_wrtpdb.F @@ -6,7 +6,7 @@ logical function argos_prep_wrtpdb(lfnout,lfnpdb,lrgpdb, + msb,nsb,idsb,rdist,nskip,iskip,lang,lfnmrg,nmerge,xmerge,filmrg, + irenum,invert,ihop,ips) c -c $Id: argos_prep_wrtpdb.F,v 1.45 2003-11-11 20:30:50 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_wrtpov.F b/src/argos/argos_prep_wrtpov.F index 0d3460c23d..4c1896c4bc 100644 --- a/src/argos/argos_prep_wrtpov.F +++ b/src/argos/argos_prep_wrtpov.F @@ -4,7 +4,7 @@ logical function argos_prep_wrtpov(lfnout,lfnpov,filpov,iopt,box, + xwc,vwc,mwmc,nwmc,slvnam,nxrep,nyrep,nzrep,drep,msb,nsb,idsb, + rdist,scale,cpk) c -c $Id: argos_prep_wrtpov.F,v 1.8 2003-08-07 21:47:55 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_wrtrst.F b/src/argos/argos_prep_wrtrst.F index fe323cb167..ff61cdd419 100644 --- a/src/argos/argos_prep_wrtrst.F +++ b/src/argos/argos_prep_wrtrst.F @@ -4,7 +4,7 @@ logical function argos_prep_wrtrst(lfnout,lfnrst,filrst,title, + isar,isgm,xs,vs,msa,nsa,msm,nsm,irrep,nxrep,nyrep,nzrep, + mseq,nseq,lseq,ips,istat,lfnmod,filmod,itopol) c -c $Id: argos_prep_wrtrst.F,v 1.19 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_wrtseq.F b/src/argos/argos_prep_wrtseq.F index 4cd2462cd1..f6cbd35752 100644 --- a/src/argos/argos_prep_wrtseq.F +++ b/src/argos/argos_prep_wrtseq.F @@ -2,7 +2,7 @@ logical function argos_prep_wrtseq(lfnseq,filseq,lfnout, + cseq,lseq,mseq,nseq,lssb,mssb,nssb,llnk,clnk,mlnk,nlnk,nlnkf, + slvmdl,mcount,ncount,icount,scount,mfract,nfract,ifract) c -c $Id: argos_prep_wrtseq.F,v 1.12 2003-07-17 19:38:58 d3j191 Exp $ +c $Id$ c c function to write the sequence file c diff --git a/src/argos/argos_prep_wrtsgm.F b/src/argos/argos_prep_wrtsgm.F index b93036ff95..82c7773ac3 100644 --- a/src/argos/argos_prep_wrtsgm.F +++ b/src/argos/argos_prep_wrtsgm.F @@ -3,7 +3,7 @@ logical function argos_prep_wrtsgm(lfnout,lfnsgm,filsgm, + latm,catm,qatm,matm,natm,lbnd,mbnd,nbnd,lang,mang,nang, + ldih,mdih,ndih,limp,mimp,nimp,izmat,zmat,mzmat,nzmat,ipardef) c -c $Id: argos_prep_wrtsgm.F,v 1.18 2003-08-12 19:45:44 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_wrttop.F b/src/argos/argos_prep_wrttop.F index d1f2e6018f..0b4c6d4704 100644 --- a/src/argos/argos_prep_wrttop.F +++ b/src/argos/argos_prep_wrttop.F @@ -10,7 +10,7 @@ logical function argos_prep_wrttop(lfnout,title,lfntop,filtop, + l3rd,m3rd,n3rd,lexc,mexc,nexc,lnon,mnon,nnon, + natmt,nbndt,nangt,ndiht,nimpt,n3rdt,wcorr,slvnam,itopol) c -c $Id: argos_prep_wrttop.F,v 1.54 2008-08-21 16:27:14 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prep_wrtxyz.F b/src/argos/argos_prep_wrtxyz.F index b2e3b3d154..fdb3540c6b 100644 --- a/src/argos/argos_prep_wrtxyz.F +++ b/src/argos/argos_prep_wrtxyz.F @@ -2,7 +2,7 @@ logical function argos_prep_wrtxyz(lfnout,lfnxyz, + filxyz,lfnqqq,filqqq, + num,mat,isat,xs,qsa,msa,nsa,box) c -c $Id: argos_prep_wrtxyz.F,v 1.4 2000-05-02 18:50:48 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepar.F b/src/argos/argos_prepar.F index 96b692d406..712afb9d94 100644 --- a/src/argos/argos_prepar.F +++ b/src/argos/argos_prepar.F @@ -1,6 +1,6 @@ logical function argos_prepar(irtdb0) c -c $Id: prepar.F,v 1.61 2008-08-21 16:27:14 d3j191 Exp $ +c $Id$ c c ******************************************************** c ******************************************************** diff --git a/src/argos/argos_prepare.F b/src/argos/argos_prepare.F index 63ef7dc425..ffe37a1756 100644 --- a/src/argos/argos_prepare.F +++ b/src/argos/argos_prepare.F @@ -1,6 +1,6 @@ logical function argos_prepare(irtdb0) c -c $Id: prepar.F,v 1.61 2008-08-21 16:27:14 d3j191 Exp $ +c $Id$ c c ******************************************************** c ******************************************************** diff --git a/src/argos/argos_prepare_a.F b/src/argos/argos_prepare_a.F index b49f48eb53..c062e480e7 100644 --- a/src/argos/argos_prepare_a.F +++ b/src/argos/argos_prepare_a.F @@ -1,6 +1,6 @@ logical function argos_prepare_a(lbnd,mbnd,nbmd,lang,mang,nang) c -c $Id: argos_prepare_angl.F,v 1.2 1998-04-29 18:35:11 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_admin.F b/src/argos/argos_prepare_admin.F index a67c1383a5..2eb832f19a 100644 --- a/src/argos/argos_prepare_admin.F +++ b/src/argos/argos_prepare_admin.F @@ -1,6 +1,6 @@ logical function argos_prepare_admin(lfncmd,filcmd,lfnout,lfnfrg) c -c $Id: argos_prepare_admin.F,v 1.4 2003-10-19 03:30:58 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_align.F b/src/argos/argos_prepare_align.F index 49790bc7fd..ec9bd3c346 100644 --- a/src/argos/argos_prepare_align.F +++ b/src/argos/argos_prepare_align.F @@ -2,7 +2,7 @@ logical function argos_prepare_align(card,lfnout, + csa,isat,isgm,xs,vs,msa,nsa,xw,vw,mwm,mwa,nwm,nwa, + xwc,vwc,mwmc,nwmc) c -c $Id: argos_prepare_align.F,v 1.4 2001-07-06 03:45:13 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_ang.F b/src/argos/argos_prepare_ang.F index 317356feb0..22bcdd5814 100644 --- a/src/argos/argos_prepare_ang.F +++ b/src/argos/argos_prepare_ang.F @@ -1,6 +1,6 @@ logical function argos_prepare_ang(lbnd,mbnd,nbnd,lang,mang,nang) c -c $Id: argos_prepare_ang.F,v 1.2 1998-04-29 18:35:11 d3j191 Exp $ +c $Id$ c c function to extend the list of angles from a list of bonds c diff --git a/src/argos/argos_prepare_atmscn.F b/src/argos/argos_prepare_atmscn.F index 8ebc83e4a6..3f397afa68 100644 --- a/src/argos/argos_prepare_atmscn.F +++ b/src/argos/argos_prepare_atmscn.F @@ -1,7 +1,7 @@ logical function argos_prepare_atmscn(lfnsgm,filsgm,atmnam,num, + link) c -c $Id: argos_prepare_atmscn.F,v 1.4 2003-07-17 19:38:56 d3j191 Exp $ +c $Id$ c implicit none c @@ -53,7 +53,7 @@ logical function argos_prepare_atmscn(lfnsgm,filsgm,atmnam,num, end character*2 function argos_prepare_atnam(number) c -c $Id: argos_prepare_atnam.F,v 1.1 1998-04-28 23:10:44 d3j191 Exp $ +c $Id$ c implicit none integer number diff --git a/src/argos/argos_prepare_atnum.F b/src/argos/argos_prepare_atnum.F index 8179753c3f..3bb12526f2 100644 --- a/src/argos/argos_prepare_atnum.F +++ b/src/argos/argos_prepare_atnum.F @@ -1,6 +1,6 @@ integer function argos_prepare_atnum(element) c -c $Id: argos_prepare_atnum.F,v 1.3 1998-09-23 16:17:38 d3j191 Exp $ +c $Id$ c implicit none character*2 element diff --git a/src/argos/argos_prepare_atom_index.F b/src/argos/argos_prepare_atom_index.F index 7e6a28fe76..78ffe940c2 100644 --- a/src/argos/argos_prepare_atom_index.F +++ b/src/argos/argos_prepare_atom_index.F @@ -1,6 +1,6 @@ integer function argos_prepare_atom_index(card,isegm,csa,msa,nsa) c -c $Id: argos_prepare_atom_index.F,v 1.3 2003-10-19 03:30:58 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_atsiz.F b/src/argos/argos_prepare_atsiz.F index 8394092e9c..6e0c952d14 100644 --- a/src/argos/argos_prepare_atsiz.F +++ b/src/argos/argos_prepare_atsiz.F @@ -1,6 +1,6 @@ real*8 function argos_prepare_atsiz(number) c -c $Id: argos_prepare_atrad.F,v 1.7 2003-10-03 18:48:11 d3j191 Exp $ +c $Id$ c implicit none integer number diff --git a/src/argos/argos_prepare_atype.F b/src/argos/argos_prepare_atype.F index d70a585346..6e5e6c0c4e 100644 --- a/src/argos/argos_prepare_atype.F +++ b/src/argos/argos_prepare_atype.F @@ -4,7 +4,7 @@ logical function argos_prepare_atype(lfnout,lfnpar, + nring3,nring4,nring5,nring6, + latmt,matmt,natmt,lbndt,mbndt,nbndt) c -c $Id: argos_prepare_atype.F,v 1.20 2003-10-19 03:30:58 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_base.F b/src/argos/argos_prepare_base.F index 96d92afbf1..0e3baf490e 100644 --- a/src/argos/argos_prepare_base.F +++ b/src/argos/argos_prepare_base.F @@ -1,6 +1,6 @@ integer function argos_prepare_base(isgm,isegm,csa,msa,nsa) c -c $Id: argos_prepare_base.F,v 1.2 2000-12-13 19:59:23 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_bnd.F b/src/argos/argos_prepare_bnd.F index 2a21384c22..fccefea106 100644 --- a/src/argos/argos_prepare_bnd.F +++ b/src/argos/argos_prepare_bnd.F @@ -3,7 +3,7 @@ logical function argos_prepare_bnd(xatm,latm,catm,matm,natm,ilo, + xato,lato,cato,mato,nato,lbnd,mbnd,nbnd,maxscf, + llnk,clnk,mlnk,nlnk,iconst,mang,lang,mdih,ldih,itmp) c -c $Id: argos_prepare_bnd.F,v 1.17 2003-10-19 03:30:58 d3j191 Exp $ +c $Id$ c c function to append the list of bonds from atomic coordinates c for all atoms i in [ilo,ihi] diff --git a/src/argos/argos_prepare_bonds.F b/src/argos/argos_prepare_bonds.F index c08c867f3c..0b31912635 100644 --- a/src/argos/argos_prepare_bonds.F +++ b/src/argos/argos_prepare_bonds.F @@ -2,7 +2,7 @@ logical function argos_prepare_bonds(xatm,latm,matm,ilo,ihi,lbnd, + mbnd,nbnd, + llnk,clnk,mlnk,nlnk) c -c $Id: argos_prepare_bonds.F,v 1.4 2003-10-19 03:30:58 d3j191 Exp $ +c $Id$ c c function to append the list of bonds from atomic coordinates c for all atoms i in [ilo,ihi] diff --git a/src/argos/argos_prepare_boxsiz.F b/src/argos/argos_prepare_boxsiz.F index 7bb45e7206..6ad24ef498 100644 --- a/src/argos/argos_prepare_boxsiz.F +++ b/src/argos/argos_prepare_boxsiz.F @@ -2,7 +2,7 @@ logical function argos_prepare_boxsiz(xw,xwc,mwm,mwmc,mwa,nwm, + nwmc,nwa, + xs,msa,nsa,box,iopt) c -c $Id: argos_prepare_boxsiz.F,v 1.6 2002-01-30 21:08:25 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_center.F b/src/argos/argos_prepare_center.F index 922a980e10..12c11682f7 100644 --- a/src/argos/argos_prepare_center.F +++ b/src/argos/argos_prepare_center.F @@ -1,7 +1,7 @@ logical function argos_prepare_center(lfnout,xw,mwm,mwa,nwm,nwa, + xwc,mwmc,nwmc,xs,msa,nsa,iopt) c -c $Id: argos_prepare_center.F,v 1.14 2002-01-30 20:29:20 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_charge.F b/src/argos/argos_prepare_charge.F index b8d857a5b2..3fde801d5c 100644 --- a/src/argos/argos_prepare_charge.F +++ b/src/argos/argos_prepare_charge.F @@ -2,7 +2,7 @@ logical function argos_prepare_charge(irtdb,lfnout,lfnpar, + source,jlo,ilo,ihi,jhi, + latm,catm,xatm,qatm,matm,natm,lbnd,mbnd,nbnd,maxscf,qscale) c -c $Id: argos_prepare_charge.F,v 1.30 2004-04-07 19:39:03 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_check.F b/src/argos/argos_prepare_check.F index 32b73fc878..73af106475 100644 --- a/src/argos/argos_prepare_check.F +++ b/src/argos/argos_prepare_check.F @@ -3,7 +3,7 @@ logical function argos_prepare_check(lfnout,nparms,mparms,ignore, + lang,mang,nang,ldih,mdih,ndih,limp,mimp,nimp, + lseq,cseq,mseq,nseq) c -c $Id: argos_prepare_check.F,v 1.18 2003-10-17 14:56:06 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_common.fh b/src/argos/argos_prepare_common.fh index 85725ead02..a0e1389259 100644 --- a/src/argos/argos_prepare_common.fh +++ b/src/argos/argos_prepare_common.fh @@ -1,4 +1,4 @@ -c $Id: pre_common.fh,v 1.3 2003-08-12 11:12:26 d3j191 Exp $ +c $Id$ c c general parameters c diff --git a/src/argos/argos_prepare_dih.F b/src/argos/argos_prepare_dih.F index 875979aa74..29be998052 100644 --- a/src/argos/argos_prepare_dih.F +++ b/src/argos/argos_prepare_dih.F @@ -1,6 +1,6 @@ logical function argos_prepare_dih(lang,mang,nang,ldih,mdih,ndih) c -c $Id: argos_prepare_dih.F,v 1.2 1998-04-29 18:35:13 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_dihimp.F b/src/argos/argos_prepare_dihimp.F index 47618c39f5..1117e4b35e 100644 --- a/src/argos/argos_prepare_dihimp.F +++ b/src/argos/argos_prepare_dihimp.F @@ -2,7 +2,7 @@ logical function argos_prepare_dihimp(latm,matm,natm,lang,mang, + nang, + ldih,mdih,ndih,limp,mimp,nimp) c -c $Id: argos_prepare_dihimp.F,v 1.6 2003-07-31 04:09:31 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_dihsel.F b/src/argos/argos_prepare_dihsel.F index f5249dd5a8..761c1d9092 100644 --- a/src/argos/argos_prepare_dihsel.F +++ b/src/argos/argos_prepare_dihsel.F @@ -2,7 +2,7 @@ logical function argos_prepare_dihsel(catm,nparms,nparmsp,matm, + natm, + ldih,mdih,ndih) c -c $Id: argos_prepare_dihsel.F,v 1.4 2003-07-31 04:09:31 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_dimens.F b/src/argos/argos_prepare_dimens.F index 6d3b51b576..68e408942d 100644 --- a/src/argos/argos_prepare_dimens.F +++ b/src/argos/argos_prepare_dimens.F @@ -1,7 +1,7 @@ logical function argos_prepare_dimens(lfnout,lfnsgm, + lseq,cseq,mseq,nseq,natm,nbnd,nang,ndih,nimp,nparms) c -c $Id: argos_prepare_dimens.F,v 1.10 2003-10-19 03:30:58 d3j191 Exp $ +c $Id$ c c function to determine total system array dimensions c diff --git a/src/argos/argos_prepare_disres.F b/src/argos/argos_prepare_disres.F index 72fbfd3714..742bda9203 100644 --- a/src/argos/argos_prepare_disres.F +++ b/src/argos/argos_prepare_disres.F @@ -2,7 +2,7 @@ logical function argos_prepare_disres(card,card2,isegm,csa,msa, + nsa, + inoe,dnoe,mnoe,nnoe) c -c $Id: argos_prepare_disres.F,v 1.5 2003-10-19 03:30:58 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_dummy.F b/src/argos/argos_prepare_dummy.F index 6306ca2220..ea39c30599 100644 --- a/src/argos/argos_prepare_dummy.F +++ b/src/argos/argos_prepare_dummy.F @@ -4,7 +4,7 @@ logical function argos_prepare_dummy(lfnout,latt,catt,patt,ratt, + ldih,nfdih,kdih,rdih,mdih,ndih,limp,kimp,rimp,mimp,nimp, + nparms,mparms) c -c $Id: argos_prepare_dummy.F,v 1.5 2003-12-03 05:00:55 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_equiv.F b/src/argos/argos_prepare_equiv.F index 3d25ac5391..849f5afc4e 100644 --- a/src/argos/argos_prepare_equiv.F +++ b/src/argos/argos_prepare_equiv.F @@ -1,7 +1,7 @@ logical function argos_prepare_equiv(csa,isml,isgm,msa,nsa,iequi, + msm,nsm) c -c $Id: argos_prepare_equiv.F,v 1.3 2002-07-17 15:56:55 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_excl.F b/src/argos/argos_prepare_excl.F index ff14f088e8..b7be279127 100644 --- a/src/argos/argos_prepare_excl.F +++ b/src/argos/argos_prepare_excl.F @@ -2,7 +2,7 @@ logical function argos_prepare_excl(l3rd,m3rd,n3rd,lbnd,mbnd,nbnd, + lang,mang,nang,lexc,mexc,nexc,nval,ival,ndx,catt,matt, + lats,nparms,mats,latm,matm,natm,lupdat) c -c $Id: argos_prepare_excl.F,v 1.10 2003-11-21 21:16:51 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_ffield.F b/src/argos/argos_prepare_ffield.F index 94e64f6a13..a766f7769e 100644 --- a/src/argos/argos_prepare_ffield.F +++ b/src/argos/argos_prepare_ffield.F @@ -5,7 +5,7 @@ logical function argos_prepare_ffield(idir,lfnpar,filep,lfnout, + ldih,nfdih,kdih,rdih,mdih,ndih, + limp,kimp,rimp,mimp,nimp,nparms,mparms) c -c $Id: argos_prepare_ffield.F,v 1.25 2003-12-05 20:46:42 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_fix.F b/src/argos/argos_prepare_fix.F index 2e0443ed54..96f96e94d0 100644 --- a/src/argos/argos_prepare_fix.F +++ b/src/argos/argos_prepare_fix.F @@ -2,7 +2,7 @@ logical function argos_prepare_fix(lfnout,ifix,jfix,rfix,cfix, + iwmr,xw,mwm,mwa,nwm,nwa,iwmrc,xwc,mwmc,nwmc, + isar,isgm,csa,xs,msa,nsa) c -c $Id: argos_prepare_fix.F,v 1.9 2003-10-19 03:30:58 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_frgrd.F b/src/argos/argos_prepare_frgrd.F index 93dd8d61b9..365ea6f5ab 100644 --- a/src/argos/argos_prepare_frgrd.F +++ b/src/argos/argos_prepare_frgrd.F @@ -3,7 +3,7 @@ logical function argos_prepare_frgrd(lfn,fil,lfnout,nparms, + latm,catm,qatm,matm,natm,lbnd,mbnd,nbnd,izmat,zmat,mzmat,nzmat, + fils) c -c $Id: argos_prepare_frgrd.F,v 1.11 2003-08-07 21:47:55 d3j191 Exp $ +c $Id$ c c function to read dimensions from a frg file c diff --git a/src/argos/argos_prepare_frgsiz.F b/src/argos/argos_prepare_frgsiz.F index 990ae6d1f1..3e57c97308 100644 --- a/src/argos/argos_prepare_frgsiz.F +++ b/src/argos/argos_prepare_frgsiz.F @@ -1,7 +1,7 @@ logical function argos_prepare_frgsiz(lfn,fil,lfnout, + natm,nbnd,nzmat,nparms,ipardef) c -c $Id: argos_prepare_frgsiz.F,v 1.12 2003-08-29 15:32:24 d3j191 Exp $ +c $Id$ c c function to read dimensions from a frg file c diff --git a/src/argos/argos_prepare_gensgm.F b/src/argos/argos_prepare_gensgm.F index 3d3c31a2b5..241a75554e 100644 --- a/src/argos/argos_prepare_gensgm.F +++ b/src/argos/argos_prepare_gensgm.F @@ -1,7 +1,7 @@ logical function argos_prepare_gensgm(lfnout,lfnfrg,lfnsgm, + lsgm,csgm,msgm,nsgm) c -c $Id: argos_prepare_gensgm.F,v 1.10 2003-10-19 03:30:58 d3j191 Exp $ +c $Id$ c c function to generate segment files c diff --git a/src/argos/argos_prepare_his.F b/src/argos/argos_prepare_his.F index e3aa3f77ba..12d3f56dc0 100644 --- a/src/argos/argos_prepare_his.F +++ b/src/argos/argos_prepare_his.F @@ -1,7 +1,7 @@ logical function argos_prepare_his(num,mat, + csa,isat,isgm,imol,ifra,xs,msa,nsa) c -c $Id: argos_prepare_his.F,v 1.1 2003-10-17 14:56:06 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_hnames.F b/src/argos/argos_prepare_hnames.F index 45ea150191..c5cf73c4d9 100644 --- a/src/argos/argos_prepare_hnames.F +++ b/src/argos/argos_prepare_hnames.F @@ -1,7 +1,7 @@ logical function argos_prepare_hnames(latm,catm,matm,natm, + lbnd,mbnd,nbnd) c -c $Id: argos_prepare_hnames.F,v 1.2 1998-04-29 18:35:16 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_hybrid.F b/src/argos/argos_prepare_hybrid.F index f4676dc54e..3a584cd6c4 100644 --- a/src/argos/argos_prepare_hybrid.F +++ b/src/argos/argos_prepare_hybrid.F @@ -1,7 +1,7 @@ logical function argos_prepare_hybrid(xatm,latm,matm,natm,lbnd, + mbnd,nbnd) c -c $Id: argos_prepare_hybrid.F,v 1.11 2000-07-06 18:48:56 d3j191 Exp $ +c $Id$ c c in : xatm(3,matm) = atomic coordinates c : latm(2,matm) = atomic numbers diff --git a/src/argos/argos_prepare_imp.F b/src/argos/argos_prepare_imp.F index f3603ff792..da9ccf2e53 100644 --- a/src/argos/argos_prepare_imp.F +++ b/src/argos/argos_prepare_imp.F @@ -1,7 +1,7 @@ logical function argos_prepare_imp(latm,matm,natm,lbnd,mbnd,nbnd, + limp,mimp,nimp) c -c $Id: argos_prepare_imp.F,v 1.7 2003-07-31 04:09:31 d3j191 Exp $ +c $Id$ c implicit none #include "argos_prepare_common.fh" diff --git a/src/argos/argos_prepare_impctr.F b/src/argos/argos_prepare_impctr.F index fc3b3c6433..708e5a618c 100644 --- a/src/argos/argos_prepare_impctr.F +++ b/src/argos/argos_prepare_impctr.F @@ -2,7 +2,7 @@ logical function argos_prepare_impctr(lfnout,latm,matm, + jlo,ilo,ihi,jhi,lbnd,mbnd,nbnd,lang,mang,nang,ldih,mdih,ndih, + lring,aring,mring,nring3,nring4,nring5,nring6) c -c $Id: argos_prepare_impctr.F,v 1.6 2003-10-19 03:30:58 d3j191 Exp $ +c $Id$ c c function to determine the center type c diff --git a/src/argos/argos_prepare_input.F b/src/argos/argos_prepare_input.F index a654b918fc..471a1ccece 100644 --- a/src/argos/argos_prepare_input.F +++ b/src/argos/argos_prepare_input.F @@ -1,6 +1,6 @@ subroutine argos_prepare_input(irtdb) c -c $Id: argos_prepare_input.F,v 1.127 2008-08-21 22:26:53 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_links.F b/src/argos/argos_prepare_links.F index 62960b18b8..c361fb0a01 100644 --- a/src/argos/argos_prepare_links.F +++ b/src/argos/argos_prepare_links.F @@ -2,7 +2,7 @@ logical function argos_prepare_links(lfnout,lfnmod,filmod, + xatm,catm,latm,matm,lseq,cseq,mseq,nseq, + llnk,clnk,mlnk,nlnk,nlnkf) c -c $Id: argos_prepare_links.F,v 1.22 2003-10-31 03:12:01 d3j191 Exp $ +c $Id$ c c function to scan database for link segments in sequence c diff --git a/src/argos/argos_prepare_merge.F b/src/argos/argos_prepare_merge.F index ce8820f5a7..b9d8f4553b 100644 --- a/src/argos/argos_prepare_merge.F +++ b/src/argos/argos_prepare_merge.F @@ -1,7 +1,7 @@ integer function argos_prepare_merge(iunit,xmerge,filnam, + lfnout,lfnpdb,namslv,inum,lrgpdb) c -c $Id: argos_prepare_merge.F,v 1.7 2003-10-31 21:32:47 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_misfit.F b/src/argos/argos_prepare_misfit.F index 451e2e390e..67162f1327 100644 --- a/src/argos/argos_prepare_misfit.F +++ b/src/argos/argos_prepare_misfit.F @@ -3,7 +3,7 @@ logical function argos_prepare_misfit(lfnout,lfnmat, + idsb,cdsb,msb,nsb,grid,mgrid,ngrid,gdist,nmis,iwater,iwfnd,xw, + qwa,mwm,mwa,nwm,nwa,npbtyp,box,fcount,nrgrid,iogrid,rogrid) c -c $Id: argos_prepare_misfit.F,v 1.40 2004-04-20 14:46:24 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_mkfrg.F b/src/argos/argos_prepare_mkfrg.F index f58ff9cee5..8bc58169c7 100644 --- a/src/argos/argos_prepare_mkfrg.F +++ b/src/argos/argos_prepare_mkfrg.F @@ -5,7 +5,7 @@ logical function argos_prepare_mkfrg(irtdb,source,iunit,lfnpar, + lang,mang,ldih,mdih,limp,mimp, + maxscf,qscale,llnk,clnk,mlnk,nlnk) c -c $Id: argos_prepare_mkfrg.F,v 1.43 2003-10-19 03:30:58 d3j191 Exp $ +c $Id$ c c function to prepare missing fragment definitions c diff --git a/src/argos/argos_prepare_mklist.F b/src/argos/argos_prepare_mklist.F index 126ee050a3..de8d0594f2 100644 --- a/src/argos/argos_prepare_mklist.F +++ b/src/argos/argos_prepare_mklist.F @@ -10,7 +10,7 @@ logical function argos_prepare_mklist(lfnout,lfnsgm,lfnmat,nparms, + natmt,nbndt,nangt,ndiht,nimpt,wcorr, + nval,ival,rval,ndx,itopol) c -c $Id: argos_prepare_mklist.F,v 1.32 2003-12-03 05:00:55 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_mknoe.F b/src/argos/argos_prepare_mknoe.F index 70df44b119..d4b722dcb7 100644 --- a/src/argos/argos_prepare_mknoe.F +++ b/src/argos/argos_prepare_mknoe.F @@ -2,7 +2,7 @@ logical function argos_prepare_mknoe(lfnout,lfntop,filtop,lfncmd, + filcmd, + lfnnoe,filnoe,mnoe,lfnpmf,filpmf,slvnam) c -c $Id: argos_prepare_mknoe.F,v 1.34 2003-10-19 03:30:58 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_mkrst.F b/src/argos/argos_prepare_mkrst.F index 448919346f..a5803f2480 100644 --- a/src/argos/argos_prepare_mkrst.F +++ b/src/argos/argos_prepare_mkrst.F @@ -6,7 +6,7 @@ logical function argos_prepare_mkrst(irtdb,title,mdold,source, + chain,model,lfnxyz,filxyz,lfnqqq,filqqq,lfnpov,filpov,scale,cpk, + lfnmat,lfnmrg,nmerge,xmerge,filmrg,fcount,lfnmod,filmod,itopol) c -c $Id: argos_prepare_mkrst.F,v 1.99 2006-07-20 14:18:53 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_mkseq.F b/src/argos/argos_prepare_mkseq.F index 5259f5637e..2bc21b19b1 100644 --- a/src/argos/argos_prepare_mkseq.F +++ b/src/argos/argos_prepare_mkseq.F @@ -4,7 +4,7 @@ logical function argos_prepare_mkseq(irtdb,lfnout,source,sysnam, + slvnam,slvmdl,maxscf,qscale,altloc,chain,icyren,model,nxlnk, + mcount,ncount,icount,scount,mfract,nfract,ifract,iconst,his) c -c $Id: argos_prepare_mkseq.F,v 1.42 2003-10-19 03:30:58 d3j191 Exp $ +c $Id$ c c in : integer lfnout = logical file number output file c integer lfnpdb = logical file number for pdb file diff --git a/src/argos/argos_prepare_mksgm.F b/src/argos/argos_prepare_mksgm.F index b52147b31f..6fe792bd1f 100644 --- a/src/argos/argos_prepare_mksgm.F +++ b/src/argos/argos_prepare_mksgm.F @@ -1,7 +1,7 @@ logical function argos_prepare_mksgm(lfnout,lfnfrg,filfrg,lfnsgm, + filsgm) c -c $Id: argos_prepare_mksgm.F,v 1.18 2006-02-10 17:26:42 d3j191 Exp $ +c $Id$ c c function to make segment file c diff --git a/src/argos/argos_prepare_mktop.F b/src/argos/argos_prepare_mktop.F index c755c78907..840f8d68c5 100644 --- a/src/argos/argos_prepare_mktop.F +++ b/src/argos/argos_prepare_mktop.F @@ -3,7 +3,7 @@ logical function argos_prepare_mktop(lfnout,title,nparms,mparms, + lfnmod,filmod,lfnmat,lfnhdb,lfnhop,filhop, + lfnbsg,filbsg,ignore,slvnam,itopol,icomb) c -c $Id: argos_prepare_mktop.F,v 1.39 2008-08-21 16:27:14 d3j191 Exp $ +c $Id$ c c in : integer lfnout = logical file number output file c char*80 ffield = force field from [amber] diff --git a/src/argos/argos_prepare_modify.F b/src/argos/argos_prepare_modify.F index 4f3fb54457..b4c1b90351 100644 --- a/src/argos/argos_prepare_modify.F +++ b/src/argos/argos_prepare_modify.F @@ -4,7 +4,7 @@ logical function argos_prepare_modify(iwhich,lfnout,lfnmod,filmod, + ldih,nfdih,kdih,rdih,mdih,ndih,ndiht,limp,kimp,rimp,mimp,nimp, + nimpt,lupdat) c -c $Id: argos_prepare_modify.F,v 1.19 2003-12-03 05:00:56 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_multip.F b/src/argos/argos_prepare_multip.F index e5aa5b8b0c..683a9c4f73 100644 --- a/src/argos/argos_prepare_multip.F +++ b/src/argos/argos_prepare_multip.F @@ -3,7 +3,7 @@ logical function argos_prepare_multip(lseq,mseq,nseq,latm,matm, + lang,mang,nang,ldih,mdih,ndih,limp,mimp,nimp) c c -c $Id: argos_prepare_multip.F,v 1.1 2003-07-17 19:38:57 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_namiup.F b/src/argos/argos_prepare_namiup.F index 77f0b04d5f..cfee8effd2 100644 --- a/src/argos/argos_prepare_namiup.F +++ b/src/argos/argos_prepare_namiup.F @@ -1,7 +1,7 @@ logical function argos_prepare_namiup(lfnout, + lseq,cseq,mseq,nseq,latm,catm,matm,natm) c -c $Id: argos_prepare_namiup.F,v 1.12 2003-07-23 02:38:46 d3j191 Exp $ +c $Id$ c c function to comply with IUPAC atom naming c diff --git a/src/argos/argos_prepare_natyps.F b/src/argos/argos_prepare_natyps.F index 84fc0ecd2e..ca760c0030 100644 --- a/src/argos/argos_prepare_natyps.F +++ b/src/argos/argos_prepare_natyps.F @@ -1,7 +1,7 @@ logical function argos_prepare_natyps(lfnout,nparms,mparms, + catm,matm,natm,natt,nats) c -c $Id: argos_prepare_natyps.F,v 1.6 2003-07-17 19:38:57 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_nonbon.F b/src/argos/argos_prepare_nonbon.F index 354a744024..dc8626c106 100644 --- a/src/argos/argos_prepare_nonbon.F +++ b/src/argos/argos_prepare_nonbon.F @@ -2,7 +2,7 @@ logical function argos_prepare_nonbon(iatm,natm,lbnd,mbnd,ibnd, + nbnd, + lang,mang,iang,nang,l3rd,m3rd,i3rd,n3rd,lnon,mnon,nnon) c -c $Id: argos_prepare_nonbon.F,v 1.2 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_nucleic.F b/src/argos/argos_prepare_nucleic.F index 4d417845d6..a88479d9ce 100644 --- a/src/argos/argos_prepare_nucleic.F +++ b/src/argos/argos_prepare_nucleic.F @@ -1,6 +1,6 @@ logical function argos_prepare_nucleic(sgmnam) c -c $Id: argos_prepare_nucleic.F,v 1.2 2003-07-23 02:38:46 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_orient.F b/src/argos/argos_prepare_orient.F index c3d3a2731e..8baee335fc 100644 --- a/src/argos/argos_prepare_orient.F +++ b/src/argos/argos_prepare_orient.F @@ -1,7 +1,7 @@ logical function argos_prepare_orient(lfnout,xw,mwm,mwa,nwm,nwa, + xwc,mwmc,nwmc,xs,msa,nsa) c -c $Id: argos_prepare_orient.F,v 1.5 2001-07-06 03:45:13 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_params.F b/src/argos/argos_prepare_params.F index 42341e9a5e..9fd7546cfd 100644 --- a/src/argos/argos_prepare_params.F +++ b/src/argos/argos_prepare_params.F @@ -6,7 +6,7 @@ logical function argos_prepare_params(lfnpar,lfnout,nparms,mparms, + latt,lats,catt,patt,ratt,matt,natt,mats,nats, + lseq,cseq,mseq,nseq,icomb) c -c $Id: argos_prepare_params.F,v 1.20 2003-12-05 20:46:42 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_parcnv.F b/src/argos/argos_prepare_parcnv.F index 2772158da1..abc1e015f2 100644 --- a/src/argos/argos_prepare_parcnv.F +++ b/src/argos/argos_prepare_parcnv.F @@ -1,7 +1,7 @@ logical function argos_prepare_parcnv(icomb,latt,patt,catt, + matt,natt) c -c $Id: argos_prepare_parcnv.F,v 1.7 2002-02-09 05:48:17 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_paths.F b/src/argos/argos_prepare_paths.F index 068d2c99f7..780ba7dbf9 100644 --- a/src/argos/argos_prepare_paths.F +++ b/src/argos/argos_prepare_paths.F @@ -1,6 +1,6 @@ logical function argos_prepare_paths() c -c $Id: argos_prepare_paths.F,v 1.2 2003-08-01 00:02:37 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_paths2.F b/src/argos/argos_prepare_paths2.F index 5df7633142..5fb68c63d7 100644 --- a/src/argos/argos_prepare_paths2.F +++ b/src/argos/argos_prepare_paths2.F @@ -1,6 +1,6 @@ logical function argos_prepare_paths2(irtdb) c -c $Id: argos_prepare_paths2.F,v 1.3 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_pdbseq.F b/src/argos/argos_prepare_pdbseq.F index b221f51ced..8329ab0bdd 100644 --- a/src/argos/argos_prepare_pdbseq.F +++ b/src/argos/argos_prepare_pdbseq.F @@ -2,7 +2,7 @@ logical function argos_prepare_pdbseq(iunit,filnam,lfnout, + model,namslv,lseq,cseq,mseq,nseq,latm,catm,xatm,matm,natm, + lssb,mssb,nssb,llnk,clnk,mlnk,nlnk,altloc,chain) c -c $Id: argos_prepare_pdbseq.F,v 1.25 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c c function to read sequence from a pdb formatted file c diff --git a/src/argos/argos_prepare_pdbsiz.F b/src/argos/argos_prepare_pdbsiz.F index a9344c1678..1cfecbdbf9 100644 --- a/src/argos/argos_prepare_pdbsiz.F +++ b/src/argos/argos_prepare_pdbsiz.F @@ -1,7 +1,7 @@ logical function argos_prepare_pdbsiz(iunit,filnam,lfnout, + model,natm,nseq,nssb,nlnk,namslv,numslv,altloc,chain) c -c $Id: argos_prepare_pdbsiz.F,v 1.17 2003-07-17 19:38:57 d3j191 Exp $ +c $Id$ c c function to read dimensions from a pdb formatted file c diff --git a/src/argos/argos_prepare_protein.F b/src/argos/argos_prepare_protein.F index 26acc4cf5d..6e43dcfb94 100644 --- a/src/argos/argos_prepare_protein.F +++ b/src/argos/argos_prepare_protein.F @@ -1,6 +1,6 @@ logical function argos_prepare_protein(sgmnam) c -c $Id: argos_prepare_protein.F,v 1.2 2003-07-23 02:38:46 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_rdgeom.F b/src/argos/argos_prepare_rdgeom.F index f4dd51b5a3..137079d07d 100644 --- a/src/argos/argos_prepare_rdgeom.F +++ b/src/argos/argos_prepare_rdgeom.F @@ -2,7 +2,7 @@ logical function argos_prepare_rdgeom(irtdb,csa,isar,isgm,isfnd, + xs,vs, + msa,nsa,nmis,msm,nsm) c -c $Id: argos_prepare_rdgeom.F,v 1.4 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_rdpdb.F b/src/argos/argos_prepare_rdpdb.F index 3266b5357a..1778543038 100644 --- a/src/argos/argos_prepare_rdpdb.F +++ b/src/argos/argos_prepare_rdpdb.F @@ -4,7 +4,7 @@ logical function argos_prepare_rdpdb(lfnout,filpdb,lfnpdb,filtmp, + xw,vw,cwa,mwm,mwa,nwm,nwa,namslv,iwater,altloc,chain,model,box, + lpdbbx) c -c $Id: argos_prepare_rdpdb.F,v 1.25 2003-11-11 20:30:50 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_rdrst.F b/src/argos/argos_prepare_rdrst.F index 2d656b5671..aaa449090b 100644 --- a/src/argos/argos_prepare_rdrst.F +++ b/src/argos/argos_prepare_rdrst.F @@ -4,7 +4,7 @@ logical function argos_prepare_rdrst(lfnout,lfnrst,filrst, + isar,xs,vs,msa,nsa, + inoe,dnoe,mnoe,noe,msm,nsm,mseq,nseq,lseq,ips) c -c $Id: argos_prepare_rdrst.F,v 1.15 2003-07-17 19:38:57 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_rdseq.F b/src/argos/argos_prepare_rdseq.F index 20b98c64c0..5a5a5b55e3 100644 --- a/src/argos/argos_prepare_rdseq.F +++ b/src/argos/argos_prepare_rdseq.F @@ -1,7 +1,7 @@ logical function argos_prepare_rdseq(lfnout,lfnseq,filseq, + lseq,cseq,mseq,nseq,llnk,clnk,mlnk,nlnk) c -c $Id: argos_prepare_rdseq.F,v 1.15 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c c function to read the sequence file c diff --git a/src/argos/argos_prepare_rdsgm.F b/src/argos/argos_prepare_rdsgm.F index 9b92def668..eb3218e8f0 100644 --- a/src/argos/argos_prepare_rdsgm.F +++ b/src/argos/argos_prepare_rdsgm.F @@ -6,7 +6,7 @@ logical function argos_prepare_rdsgm(lfnout,nparms,mparms, + limp,kimp,rimp,mimp,nimp, + wcorr,npar,ipardef,itopol) c -c $Id: argos_prepare_rdsgm.F,v 1.20 2003-12-03 05:00:56 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_removw.F b/src/argos/argos_prepare_removw.F index eed5ecda0c..6181c39a8c 100644 --- a/src/argos/argos_prepare_removw.F +++ b/src/argos/argos_prepare_removw.F @@ -1,7 +1,7 @@ logical function argos_prepare_removw(ir,xr, + xw,vw,mwm,mwa,nwm,nwa,xwc,vwc,mwmc,nwmc,xs,msa,nsa) c -c $Id: argos_prepare_removw.F,v 1.3 2004-02-14 20:09:18 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_rename.F b/src/argos/argos_prepare_rename.F index 55726d7fb1..f738e6f0e9 100644 --- a/src/argos/argos_prepare_rename.F +++ b/src/argos/argos_prepare_rename.F @@ -2,7 +2,7 @@ logical function argos_prepare_rename(lfnout,lfnmod,filmod, + lseq,cseq,mseq,nseq,latm,catm,matm,natm, + llnk,clnk,mlnk,nlnk,icyren,his) c -c $Id: argos_prepare_rename.F,v 1.21 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c c function to comply with ffield segment names c diff --git a/src/argos/argos_prepare_repeat.F b/src/argos/argos_prepare_repeat.F index 1abe332a6a..021db20433 100644 --- a/src/argos/argos_prepare_repeat.F +++ b/src/argos/argos_prepare_repeat.F @@ -2,7 +2,7 @@ logical function argos_prepare_repeat(card,lfnout,drep,box, + csa,isat,isgm,xs,vs,msa,nsa,xw,vw,mwm,mwa,nwm,nwa, + xwc,vwc,mwmc,nwmc) c -c $Id: argos_prepare_repeat.F,v 1.8 2001-07-06 03:45:14 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_rot.F b/src/argos/argos_prepare_rot.F index dfccc01104..c653a0cadf 100644 --- a/src/argos/argos_prepare_rot.F +++ b/src/argos/argos_prepare_rot.F @@ -1,7 +1,7 @@ logical function argos_prepare_rot(irot,jrot,arot,xrot,is,xs,msa, + nsa) c -c $Id: argos_prepare_rot.F,v 1.5 2003-09-02 22:53:06 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_rotate.F b/src/argos/argos_prepare_rotate.F index d12b5dbf0a..9241904f5e 100644 --- a/src/argos/argos_prepare_rotate.F +++ b/src/argos/argos_prepare_rotate.F @@ -2,7 +2,7 @@ subroutine argos_prepare_rotate(o,p,angle,xw,mwm,mwa,nwm,nwa,xwc, + mwmc,nwmc, + xs,msa,nsa) c -c $Id: argos_prepare_rotate.F,v 1.2 1998-04-29 18:35:23 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_rrst.F b/src/argos/argos_prepare_rrst.F index 70514c7876..f6fb086722 100644 --- a/src/argos/argos_prepare_rrst.F +++ b/src/argos/argos_prepare_rrst.F @@ -4,7 +4,7 @@ logical function argos_prepare_rrst(lfnout,lfnrst,filrst, + isar,xs,vs,msa,nsa, + inoe,dnoe,mnoe,noe,msm,nsm) c -c $Id: argos_prepare_rdrst.F,v 1.15 2003-07-17 19:38:57 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_rstmod.F b/src/argos/argos_prepare_rstmod.F index e0e5aba6cb..b7969260d2 100644 --- a/src/argos/argos_prepare_rstmod.F +++ b/src/argos/argos_prepare_rstmod.F @@ -1,7 +1,7 @@ logical function argos_prepare_rstmod(lseq,mseq,nseq,lfnmod, + filmod,lfnout) c -c $Id: argos_prepare_rstmod.F,v 1.1 2003-07-17 19:38:57 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_rstsiz.F b/src/argos/argos_prepare_rstsiz.F index dc07be1f77..f0dad09316 100644 --- a/src/argos/argos_prepare_rstsiz.F +++ b/src/argos/argos_prepare_rstsiz.F @@ -1,7 +1,7 @@ logical function argos_prepare_rstsiz(lfnrst,filrst,nwm,nwa,nsa, + nwmc) c -c $Id: argos_prepare_rstsiz.F,v 1.7 2000-01-21 07:45:11 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_rstsz.F b/src/argos/argos_prepare_rstsz.F index e74903110a..97bfccf3af 100644 --- a/src/argos/argos_prepare_rstsz.F +++ b/src/argos/argos_prepare_rstsz.F @@ -1,7 +1,7 @@ logical function argos_prepare_rstsz(lfnrst,filrst,nwm,nwa,nsa, + nwmc) c -c $Id: argos_prepare_rstsiz.F,v 1.7 2000-01-21 07:45:11 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_rtdbin.F b/src/argos/argos_prepare_rtdbin.F index cb09890a77..c0e91db4ba 100644 --- a/src/argos/argos_prepare_rtdbin.F +++ b/src/argos/argos_prepare_rtdbin.F @@ -6,7 +6,7 @@ logical function argos_prepare_rtdbin(irtdb,title, + altloc,chain,icyren,iconst,model,nxlnk,mdold,ignore,scount, + fcount,mfract,nfract,ifract,scale,cpk,his,itopol,icomb) c -c $Id: argos_prepare_rtdbin.F,v 1.39 2003-12-05 20:46:42 d3j191 Exp $ +c $Id$ c c function to read input for prepare module from rtdb c diff --git a/src/argos/argos_prepare_rtdbsq.F b/src/argos/argos_prepare_rtdbsq.F index 158a56bf13..31df423c02 100644 --- a/src/argos/argos_prepare_rtdbsq.F +++ b/src/argos/argos_prepare_rtdbsq.F @@ -1,7 +1,7 @@ logical function argos_prepare_rtdbsq(irtdb,igeom,lfnout,sysnam, + lseq,cseq,mseq,nseq,latm,catm,xatm,matm,natm) c -c $Id: argos_prepare_rtdbsq.F,v 1.10 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c c function to read sequence from the rtdb c diff --git a/src/argos/argos_prepare_scnseq.F b/src/argos/argos_prepare_scnseq.F index 0fbf669276..4767113783 100644 --- a/src/argos/argos_prepare_scnseq.F +++ b/src/argos/argos_prepare_scnseq.F @@ -1,7 +1,7 @@ logical function argos_prepare_scnseq(iunit,dirnam,lfnout, + kseq,cseq,mseq,ksgm,csgm,msgm) c -c $Id: argos_prepare_scnseq.F,v 1.5 1998-06-08 23:29:37 d3j191 Exp $ +c $Id$ c c function to scan database for segments in sequence c diff --git a/src/argos/argos_prepare_select.F b/src/argos/argos_prepare_select.F index bdecd2536d..f6f50d2eac 100644 --- a/src/argos/argos_prepare_select.F +++ b/src/argos/argos_prepare_select.F @@ -2,7 +2,7 @@ logical function argos_prepare_select(card,isegm,ismol,csa,msa, + nsa, + maxgrp,maxatm,igroup,lgroup,mgroup) c -c $Id: argos_prepare_select.F,v 1.16 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_seqsiz.F b/src/argos/argos_prepare_seqsiz.F index 5596c86ecf..9d5a66cd35 100644 --- a/src/argos/argos_prepare_seqsiz.F +++ b/src/argos/argos_prepare_seqsiz.F @@ -1,7 +1,7 @@ logical function argos_prepare_seqsiz(lfnout,lfnseq,filseq,nseq, + nlnk) c -c $Id: argos_prepare_seqsiz.F,v 1.6 1998-09-16 22:16:41 d3j191 Exp $ +c $Id$ c c function to scan the sequence file for the number of segments c diff --git a/src/argos/argos_prepare_sgmfil.F b/src/argos/argos_prepare_sgmfil.F index 0959d281bb..867e6c63ef 100644 --- a/src/argos/argos_prepare_sgmfil.F +++ b/src/argos/argos_prepare_sgmfil.F @@ -1,6 +1,6 @@ logical function argos_prepare_sgmfil(sgmnam,lfnsgm,filsgm) c -c $Id: argos_prepare_sgmfil.F,v 1.6 2003-07-23 02:38:47 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_sgmndx.F b/src/argos/argos_prepare_sgmndx.F index d2484f0506..00bcc61516 100644 --- a/src/argos/argos_prepare_sgmndx.F +++ b/src/argos/argos_prepare_sgmndx.F @@ -1,7 +1,7 @@ logical function argos_prepare_sgmndx(iunit, + lfnout,lseq,cseq,mseq,nseq,lsgm,csgm,msgm,nsgm,mato) c -c $Id: argos_prepare_sgmndx.F,v 1.14 2003-07-23 02:38:47 d3j191 Exp $ +c $Id$ c c function to scan database directories for segments in sequence c diff --git a/src/argos/argos_prepare_sgmnum.F b/src/argos/argos_prepare_sgmnum.F index 244b469fb0..5381bedcc3 100644 --- a/src/argos/argos_prepare_sgmnum.F +++ b/src/argos/argos_prepare_sgmnum.F @@ -1,7 +1,7 @@ logical function argos_prepare_sgmnum(lfnout, + lseq,cseq,mseq,nseq,nsgm) c -c $Id: argos_prepare_sgmnum.F,v 1.7 2003-07-17 19:38:57 d3j191 Exp $ +c $Id$ c c function to scan database for unique segments in sequence c diff --git a/src/argos/argos_prepare_sgmsiz.F b/src/argos/argos_prepare_sgmsiz.F index daf2243b2f..944ac5d10d 100644 --- a/src/argos/argos_prepare_sgmsiz.F +++ b/src/argos/argos_prepare_sgmsiz.F @@ -1,7 +1,7 @@ logical function argos_prepare_sgmsiz(lfnsgm,filsgm, + natm,nbnd,nang,ndih,nimp,nparms) c -c $Id: argos_prepare_sgmsiz.F,v 1.4 2003-07-17 19:38:57 d3j191 Exp $ +c $Id$ c c function to determine dimensions for segment c diff --git a/src/argos/argos_prepare_short.F b/src/argos/argos_prepare_short.F index 5086313e6b..c0c88077f6 100644 --- a/src/argos/argos_prepare_short.F +++ b/src/argos/argos_prepare_short.F @@ -2,7 +2,7 @@ logical function argos_prepare_short(xatm,latm,matm,ilo,ihi,jlo, + jhi, + ishort,jshort,rshort) c -c $Id: argos_prepare_short.F,v 1.11 2003-11-01 00:35:44 d3j191 Exp $ +c $Id$ c c function to find atom ishort in [ilo:ihi] and jshort in [jlo,jhi] c with the shortest distance rshort in nm diff --git a/src/argos/argos_prepare_shorts.F b/src/argos/argos_prepare_shorts.F index b9755c202f..b90af36605 100644 --- a/src/argos/argos_prepare_shorts.F +++ b/src/argos/argos_prepare_shorts.F @@ -2,7 +2,7 @@ integer function argos_prepare_shorts(xatm,latm,matm,ilo,ihi,jlo, + jhi, + ishort,jshort,rshort) c -c $Id: argos_prepare_short.F,v 1.11 2003-11-01 00:35:44 d3j191 Exp $ +c $Id$ c c function to find atom ishort in [ilo:ihi] and jshort in [jlo,jhi] c with the shortest distance rshort in nm diff --git a/src/argos/argos_prepare_slvnum.F b/src/argos/argos_prepare_slvnum.F index 0702ba7c79..18696b42a0 100644 --- a/src/argos/argos_prepare_slvnum.F +++ b/src/argos/argos_prepare_slvnum.F @@ -1,6 +1,6 @@ logical function argos_prepare_slvnum(islv,boxs,nwms,box,nwm) c -c $Id: argos_prepare_slvnum.F,v 1.3 1998-11-18 01:19:57 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_slvrd.F b/src/argos/argos_prepare_slvrd.F index e37924d896..9b07435d0e 100644 --- a/src/argos/argos_prepare_slvrd.F +++ b/src/argos/argos_prepare_slvrd.F @@ -2,7 +2,7 @@ logical function argos_prepare_slvrd(lfnslv,filslv,xw,vw,mwm,mwa, + nwm,nwa, + box) c -c $Id: argos_prepare_slvrd.F,v 1.4 2000-01-10 21:36:42 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_slvsiz.F b/src/argos/argos_prepare_slvsiz.F index b8f168fca4..54f665fc36 100644 --- a/src/argos/argos_prepare_slvsiz.F +++ b/src/argos/argos_prepare_slvsiz.F @@ -1,6 +1,6 @@ logical function argos_prepare_slvsiz(lfnslv,filslv,nwm,nwa) c -c $Id: argos_prepare_slvsiz.F,v 1.3 2000-01-10 19:47:39 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_solvat.F b/src/argos/argos_prepare_solvat.F index 6709de7cbc..b03fbb15b5 100644 --- a/src/argos/argos_prepare_solvat.F +++ b/src/argos/argos_prepare_solvat.F @@ -2,7 +2,7 @@ logical function argos_prepare_solvat(islv,lfnout,boxs,xslv,vslv, + mwms,mwa,nwms,nwa,touch,box,iwmr,xw,vw, + mwm,nwm,xs,msa,nsa,xwc,vwc,mwmc,nwmc) c -c $Id: argos_prepare_solvat.F,v 1.10 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_task.F b/src/argos/argos_prepare_task.F index f07c3a32ad..0c840cf9f1 100644 --- a/src/argos/argos_prepare_task.F +++ b/src/argos/argos_prepare_task.F @@ -1,6 +1,6 @@ logical function argos_prepare_task(irtdb,itask,lfnout) c -c $Id: argos_prepare_task.F,v 1.6 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_task1.F b/src/argos/argos_prepare_task1.F index f87f685a10..9ec895fe93 100644 --- a/src/argos/argos_prepare_task1.F +++ b/src/argos/argos_prepare_task1.F @@ -1,6 +1,6 @@ logical function argos_prepare_task1(irtdb) c -c $Id: argos_prepare_task1.F,v 1.6 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_term.F b/src/argos/argos_prepare_term.F index 3adb1e1e14..8d56994ced 100644 --- a/src/argos/argos_prepare_term.F +++ b/src/argos/argos_prepare_term.F @@ -1,7 +1,7 @@ logical function argos_prepare_term(lfnout,lfnsgm, + lseq,cseq,mseq,nseq,llnk,clnk,mlnk,nlnk) c -c $Id: argos_prepare_term.F,v 1.15 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c c function to determine the terminal segments c diff --git a/src/argos/argos_prepare_third.F b/src/argos/argos_prepare_third.F index 8f49ab969c..1e5f48a94d 100644 --- a/src/argos/argos_prepare_third.F +++ b/src/argos/argos_prepare_third.F @@ -1,7 +1,7 @@ logical function argos_prepare_third(lbnd,mbnd,nbnd,lang, + mang,nang,l3rd,m3rd,n3rd,ib,ia,i3,nval,ival,ndx,natm) c -c $Id: argos_prepare_third.F,v 1.7 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_toprd.F b/src/argos/argos_prepare_toprd.F index 4cd306f6b7..d480358e44 100644 --- a/src/argos/argos_prepare_toprd.F +++ b/src/argos/argos_prepare_toprd.F @@ -3,7 +3,7 @@ logical function argos_prepare_toprd(lfntop,filtop,lfnout, + csa,qsa,msa,nsa,nsm, + idsb,cdsb,msb,nsb,qu,nqu,slvnam,mseq,nseq,lseq,ihop,istat) c -c $Id: argos_prepare_toprd.F,v 1.22 2003-11-04 04:06:44 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_topsiz.F b/src/argos/argos_prepare_topsiz.F index ad68874ea5..349cec2bef 100644 --- a/src/argos/argos_prepare_topsiz.F +++ b/src/argos/argos_prepare_topsiz.F @@ -1,7 +1,7 @@ logical function argos_prepare_topsiz(lfntop,filtop,lfnout, + nat,nsa,nwa,nsb,nqu,nseq) c -c $Id: argos_prepare_topsiz.F,v 1.7 2003-07-17 19:38:57 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_torang.F b/src/argos/argos_prepare_torang.F index 7a52dcc3f3..831c7cee67 100644 --- a/src/argos/argos_prepare_torang.F +++ b/src/argos/argos_prepare_torang.F @@ -1,6 +1,6 @@ logical function argos_prepare_torang(x,mx,ia,ja,ka,la,angle) c -c $Id: argos_prepare_torang.F,v 1.2 1998-04-29 18:35:29 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_transl.F b/src/argos/argos_prepare_transl.F index aaa7cf58f8..591586ebea 100644 --- a/src/argos/argos_prepare_transl.F +++ b/src/argos/argos_prepare_transl.F @@ -1,7 +1,7 @@ logical function argos_prepare_transl(itran,jtran,xtran,is,xs,msa, + nsa) c -c $Id: argos_prepare_transl.F,v 1.2 2002-04-10 03:13:34 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_wrtnam.F b/src/argos/argos_prepare_wrtnam.F index 82e8edc8dc..4b3311dc02 100644 --- a/src/argos/argos_prepare_wrtnam.F +++ b/src/argos/argos_prepare_wrtnam.F @@ -1,7 +1,7 @@ logical function argos_prepare_wrtnam(lfnout,lfntmp,filtmp,catm, + matm,natm) c -c $Id: argos_prepare_wrtnam.F,v 1.5 2001-07-06 03:45:14 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_wrtpdb.F b/src/argos/argos_prepare_wrtpdb.F index c41a5ec69f..61bf23d313 100644 --- a/src/argos/argos_prepare_wrtpdb.F +++ b/src/argos/argos_prepare_wrtpdb.F @@ -7,7 +7,7 @@ logical function argos_prepare_wrtpdb(lfnout,lfnpdb,lrgpdb,filpdb, + msb,nsb,idsb,rdist,nskip,iskip,lang,lfnmrg,nmerge,xmerge,filmrg, + irenum,invert,ihop,ips) c -c $Id: argos_prepare_wrtpdb.F,v 1.45 2003-11-11 20:30:50 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_wrtpov.F b/src/argos/argos_prepare_wrtpov.F index 13f89e4255..3564f55895 100644 --- a/src/argos/argos_prepare_wrtpov.F +++ b/src/argos/argos_prepare_wrtpov.F @@ -5,7 +5,7 @@ logical function argos_prepare_wrtpov(lfnout,lfnpov,filpov,iopt, + xwc,vwc,mwmc,nwmc,slvnam,nxrep,nyrep,nzrep,drep,msb,nsb,idsb, + rdist,scale,cpk) c -c $Id: argos_prepare_wrtpov.F,v 1.8 2003-08-07 21:47:55 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_wrtrst.F b/src/argos/argos_prepare_wrtrst.F index 2af3de7805..94724df95f 100644 --- a/src/argos/argos_prepare_wrtrst.F +++ b/src/argos/argos_prepare_wrtrst.F @@ -4,7 +4,7 @@ logical function argos_prepare_wrtrst(lfnout,lfnrst,filrst,title, + isar,isgm,xs,vs,msa,nsa,msm,nsm,irrep,nxrep,nyrep,nzrep, + mseq,nseq,lseq,ips,istat,lfnmod,filmod,itopol) c -c $Id: argos_prepare_wrtrst.F,v 1.19 2003-10-19 03:30:59 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_wrtseq.F b/src/argos/argos_prepare_wrtseq.F index 043f46aa35..b8fb04a87b 100644 --- a/src/argos/argos_prepare_wrtseq.F +++ b/src/argos/argos_prepare_wrtseq.F @@ -2,7 +2,7 @@ logical function argos_prepare_wrtseq(lfnseq,filseq,lfnout, + cseq,lseq,mseq,nseq,lssb,mssb,nssb,llnk,clnk,mlnk,nlnk,nlnkf, + slvmdl,mcount,ncount,icount,scount,mfract,nfract,ifract) c -c $Id: argos_prepare_wrtseq.F,v 1.12 2003-07-17 19:38:58 d3j191 Exp $ +c $Id$ c c function to write the sequence file c diff --git a/src/argos/argos_prepare_wrtsgm.F b/src/argos/argos_prepare_wrtsgm.F index b57371fada..d48c1cfb24 100644 --- a/src/argos/argos_prepare_wrtsgm.F +++ b/src/argos/argos_prepare_wrtsgm.F @@ -3,7 +3,7 @@ logical function argos_prepare_wrtsgm(lfnout,lfnsgm,filsgm,nparms, + latm,catm,qatm,matm,natm,lbnd,mbnd,nbnd,lang,mang,nang, + ldih,mdih,ndih,limp,mimp,nimp,izmat,zmat,mzmat,nzmat,ipardef) c -c $Id: argos_prepare_wrtsgm.F,v 1.18 2003-08-12 19:45:44 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_wrttop.F b/src/argos/argos_prepare_wrttop.F index ebd904b845..37573c6be0 100644 --- a/src/argos/argos_prepare_wrttop.F +++ b/src/argos/argos_prepare_wrttop.F @@ -10,7 +10,7 @@ logical function argos_prepare_wrttop(lfnout,title,lfntop,filtop, + l3rd,m3rd,n3rd,lexc,mexc,nexc,lnon,mnon,nnon, + natmt,nbndt,nangt,ndiht,nimpt,n3rdt,wcorr,slvnam,itopol) c -c $Id: argos_prepare_wrttop.F,v 1.54 2008-08-21 16:27:14 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prepare_wrtxyz.F b/src/argos/argos_prepare_wrtxyz.F index af42d43c94..bd249997e0 100644 --- a/src/argos/argos_prepare_wrtxyz.F +++ b/src/argos/argos_prepare_wrtxyz.F @@ -2,7 +2,7 @@ logical function argos_prepare_wrtxyz(lfnout,lfnxyz,filxyz,lfnqqq, + filqqq, + num,mat,isat,xs,qsa,msa,nsa,box) c -c $Id: argos_prepare_wrtxyz.F,v 1.4 2000-05-02 18:50:48 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prop.fh b/src/argos/argos_prop.fh index ab8e37db1f..e4744ec8d9 100644 --- a/src/argos/argos_prop.fh +++ b/src/argos/argos_prop.fh @@ -1,5 +1,5 @@ c -c $Id: prop_common.fh,v 1.35 2008-07-03 18:05:48 d3j191 Exp $ +c $Id$ c c real*8 zero,tiny,half,one diff --git a/src/argos/argos_prop_start.F b/src/argos/argos_prop_start.F index f1dfe028cc..611c8cbe80 100644 --- a/src/argos/argos_prop_start.F +++ b/src/argos/argos_prop_start.F @@ -5,7 +5,7 @@ subroutine argos_prop_start(nseri,ntyp,nftri,lfn,fil,iout, + msmi,nsmi,nsai,ddi,edi,iprf,npmf,npenrg,ndistr,lpbci,nbiasi, + nodpme,nipmf,lguide,iradgi,idifci,nbget,ipgi,npgi) c -c $Id: argos_prop_init.F,v 1.69 2008-07-03 18:05:48 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_prop_step.F b/src/argos/argos_prop_step.F index 13a1b8a592..211bffc5a8 100644 --- a/src/argos/argos_prop_step.F +++ b/src/argos/argos_prop_step.F @@ -1,7 +1,7 @@ subroutine argos_prop_step(mdstep,stime,eww,esw,ess,fss,esk, + epme) c -c $Id: argos_prop_main.F,v 1.106 2008-07-03 18:05:48 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_space_common.fh b/src/argos/argos_space_common.fh index c0c760f4e6..90d30d8012 100644 --- a/src/argos/argos_space_common.fh +++ b/src/argos/argos_space_common.fh @@ -1,5 +1,5 @@ c -c $Id: sp_common.fh,v 1.50 2005-09-14 22:15:51 d3j191 Exp $ +c $Id$ c c conversion factors c diff --git a/src/argos/argos_space_setup.F b/src/argos/argos_space_setup.F index e6928d42b2..450d9cf475 100644 --- a/src/argos/argos_space_setup.F +++ b/src/argos/argos_space_setup.F @@ -1,7 +1,7 @@ subroutine argos_space_setup(node,iwl,xw,xwcr,vw,gw,numwm, + isl,xs,xscr,vs,gs,numsa,lpack) c -c $Id: argos_space_main.F,v 1.98 2006-09-18 15:44:09 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_space_start.F b/src/argos/argos_space_start.F index dcc7a46330..d5c6b6dad9 100644 --- a/src/argos/argos_space_start.F +++ b/src/argos/argos_space_start.F @@ -9,7 +9,7 @@ subroutine argos_space_start(lout,lfntop,filtop,lfnrst,filrst, + i_lseqi,ndumsi,nbgeti,npreci,madbxi) c c -c $Id: argos_space_init.F,v 1.145 2005-11-11 17:48:18 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/argos/argos_start.F b/src/argos/argos_start.F index 05c7616d82..a5faa99da4 100644 --- a/src/argos/argos_start.F +++ b/src/argos/argos_start.F @@ -1,6 +1,6 @@ subroutine argos_start c -c $Id: argos_start.F,v 1.173 2008-07-08 14:52:13 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/atomscf/GNUmakefile b/src/atomscf/GNUmakefile index 3391ccdeb1..9f880038b0 100644 --- a/src/atomscf/GNUmakefile +++ b/src/atomscf/GNUmakefile @@ -1,4 +1,4 @@ -# $Id: GNUmakefile,v 1.24 2000-08-08 23:49:31 bjohnson Exp $ +# $Id$ # optimization breaks on the SGITFP ... there's no point # optimizing this stuff anyway. diff --git a/src/atomscf/atcond.F b/src/atomscf/atcond.F index cbc5884b06..03aa502150 100644 --- a/src/atomscf/atcond.F +++ b/src/atomscf/atcond.F @@ -1,5 +1,5 @@ subroutine atcond(zn,ncsh,nosh,nccup,ajmn,nsym,znps,spec) -* $Id: atcond.F,v 1.10 2007-11-13 22:15:58 bert Exp $ +* $Id$ implicit none #include "errquit.fh" #include "mafdecls.fh" diff --git a/src/atomscf/atomd.F b/src/atomscf/atomd.F index 7acf1930f2..808a81d82c 100644 --- a/src/atomscf/atomd.F +++ b/src/atomscf/atomd.F @@ -1,7 +1,7 @@ subroutine atomd(oprin,iwr,znps,ic,isymax,hatom, + pcap,qcap,fc,fo,s,u,t,h,dc,dos,dt,dold,ss, + c, copn, smin, qmin, transf, cc , nbb, element, tag,spec) -C$Id: atomd.F,v 1.16 2009-01-13 20:33:41 bert Exp $ +C$Id$ implicit none #include "errquit.fh" #include "inp.fh" diff --git a/src/atomscf/atomz.fh b/src/atomscf/atomz.fh index 5e4ca95613..c359c535c7 100644 --- a/src/atomscf/atomz.fh +++ b/src/atomscf/atomz.fh @@ -1,5 +1,5 @@ c -* $Id: atomz.fh,v 1.2 1999-07-14 00:28:49 d3e129 Exp $ +* $Id$ integer max_num_z ! maximum number of charges that can be specified parameter (max_num_z=40) ! set to 40 integer num_z ! actual number of modified atomic charges diff --git a/src/atomscf/atscf_atscf.F b/src/atomscf/atscf_atscf.F index 986276c350..6554c951ce 100644 --- a/src/atomscf/atscf_atscf.F +++ b/src/atomscf/atscf_atscf.F @@ -3,7 +3,7 @@ subroutine atscf_atomic_scf(geom, basis, iat, oprint, $ cc_out, energy_out, eps_out,spec) implicit none #include "errquit.fh" -* $Id: atscf_atscf.F,v 1.8 2007-11-13 22:15:58 bert Exp $ +* $Id$ #include "geom.fh" #include "bas.fh" #include "cguess.fh" diff --git a/src/atomscf/atscf_ecp.F b/src/atomscf/atscf_ecp.F index 224a1196e0..46d888a1f0 100644 --- a/src/atomscf/atscf_ecp.F +++ b/src/atomscf/atscf_ecp.F @@ -1,4 +1,4 @@ -* $Id: atscf_ecp.F,v 1.13 2008-01-18 22:00:07 bert Exp $ +* $Id$ subroutine atscf_ecp(geom,basis,tag,hatom,nbas, & zeta,cont,ucont,nz) * diff --git a/src/atomscf/cguess.fh b/src/atomscf/cguess.fh index 7282bc1ae1..b59ca46382 100644 --- a/src/atomscf/cguess.fh +++ b/src/atomscf/cguess.fh @@ -2,7 +2,7 @@ c c common used by guess routines for storing info and passing arguments c integer nb ! Maximum no. of primitives on any atom -C$Id: cguess.fh,v 1.9 2006-01-12 00:29:48 edo Exp $ +C$Id$ integer no ! Maximum no. of orbitals on any atom ? integer maxatsym ! Maximum no. of syms (s/p/d/f) parameter (nb=500, no=60, maxatsym=4) diff --git a/src/atomscf/cmergd.F b/src/atomscf/cmergd.F index fc551aa1ce..3db0de4900 100644 --- a/src/atomscf/cmergd.F +++ b/src/atomscf/cmergd.F @@ -1,5 +1,5 @@ subroutine cmergd(c1,c2,nc,nb,no) -C$Id: cmergd.F,v 1.2 1995-02-02 23:08:49 d3g681 Exp $ +C$Id$ implicit none c....................................................................... c merge open and closed shell coefficient matrices. diff --git a/src/atomscf/creded.F b/src/atomscf/creded.F index d990104ec0..e86ef3d522 100644 --- a/src/atomscf/creded.F +++ b/src/atomscf/creded.F @@ -1,5 +1,5 @@ subroutine creded(g_dens, dt, iiloc, nbb, ospherical) -C$Id: creded.F,v 1.10 1999-06-07 23:45:18 d3e129 Exp $ +C$Id$ implicit none #include "global.fh" #include "cguess.fh" diff --git a/src/atomscf/datoms.F b/src/atomscf/datoms.F index 31e699c040..845da8fbbe 100644 --- a/src/atomscf/datoms.F +++ b/src/atomscf/datoms.F @@ -2,7 +2,7 @@ subroutine datoms(geom, basis, hatom, g_dens, oprin, + pcap, qcap, fc, fo, s, u, t, h, dc, dos, dt, dold, ss, + cvec, copn, smin, qmin, transf, cc, nbb, oprint_ener, $ odens, eatom,spec) -C $Id: datoms.F,v 1.28 2009-01-13 20:33:41 bert Exp $ +C $Id$ implicit none #include "errquit.fh" #include "mafdecls.fh" diff --git a/src/atomscf/denat.F b/src/atomscf/denat.F index 0a97964cda..8ced28cc14 100644 --- a/src/atomscf/denat.F +++ b/src/atomscf/denat.F @@ -11,7 +11,7 @@ subroutine guess_dens(rtdb, geom, basis, g_dens) c end subroutine guess_dens_gen(rtdb, geom, basis, odens, g_dens, eatom) -C$Id: denat.F,v 1.19 2007-11-13 22:15:59 bert Exp $ +C$Id$ implicit none #include "errquit.fh" #include "geom.fh" diff --git a/src/atomscf/denmad.F b/src/atomscf/denmad.F index bc83d509e4..93af17ef60 100644 --- a/src/atomscf/denmad.F +++ b/src/atomscf/denmad.F @@ -1,5 +1,5 @@ subroutine denmad(d,c,ns,nb,occ,nrow) -C$Id: denmad.F,v 1.3 1996-03-29 04:53:14 d3e129 Exp $ +C$Id$ implicit none c....................................................................... c make actual density matrices. diff --git a/src/atomscf/densid.F b/src/atomscf/densid.F index 450fd0da4d..710626eaac 100644 --- a/src/atomscf/densid.F +++ b/src/atomscf/densid.F @@ -4,7 +4,7 @@ subroutine densid(dt,dold,dos,nsym,nosh,ncsh,nccup,c,damp,nconv, c c driver routine for density matrix processing c....................................................................... -C$Id: densid.F,v 1.3 1996-03-29 04:53:16 d3e129 Exp $ +C$Id$ implicit none c real *8 dt(*), dold(*), dos(*), c(*) diff --git a/src/atomscf/densid_z.F b/src/atomscf/densid_z.F index a2bf4922e5..5cd43c9c18 100644 --- a/src/atomscf/densid_z.F +++ b/src/atomscf/densid_z.F @@ -4,7 +4,7 @@ subroutine densid_z(dt,dold,dos,nsym,nosh,ncsh,nccup,c,damp,nconv, c c driver routine for density matrix processing c....................................................................... -C$Id: densid_z.F,v 1.4 2003-10-17 22:54:15 carlfahl Exp $ +C$Id$ implicit none #include "errquit.fh" #include "atomz.fh" diff --git a/src/atomscf/graveyard b/src/atomscf/graveyard index 9a454c9912..bc8eb1b03c 100644 --- a/src/atomscf/graveyard +++ b/src/atomscf/graveyard @@ -1,4 +1,4 @@ -c $Id: graveyard,v 1.2 1999-07-29 01:01:14 d3e129 Exp $ +c $Id$ c c (atw) Modified to directly create the distributed AO-density c from the atomic density blocks diff --git a/src/atomscf/guess_mem.F b/src/atomscf/guess_mem.F index 941cb89ee7..62adb18a7a 100644 --- a/src/atomscf/guess_mem.F +++ b/src/atomscf/guess_mem.F @@ -1,5 +1,5 @@ subroutine guess_mem(memscr) -C$Id: guess_mem.F,v 1.3 1995-02-02 23:08:58 d3g681 Exp $ +C$Id$ implicit none #include "cguess.fh" c diff --git a/src/atomscf/hamild.F b/src/atomscf/hamild.F index 5377c95061..47e4e1ea15 100644 --- a/src/atomscf/hamild.F +++ b/src/atomscf/hamild.F @@ -1,6 +1,6 @@ subroutine hamild(pcap, qcap, fc, fo, s, u, t, h, dos, dt, + c, smin, qmin, nbb) -C$Id: hamild.F,v 1.2 1995-02-02 23:08:59 d3g681 Exp $ +C$Id$ implicit none c....................................................................... c diff --git a/src/atomscf/jacod.F b/src/atomscf/jacod.F index 3fd6b0027e..9b88989e8f 100644 --- a/src/atomscf/jacod.F +++ b/src/atomscf/jacod.F @@ -1,5 +1,5 @@ subroutine jacod(f,v,nb,nb1,nb2,nmin,nmax,big,jbig,maxao) -C$Id: jacod.F,v 1.5 2000-10-25 22:50:07 windus Exp $ +C$Id$ implicit none c....................................................................... c f is the matrix to be diagonalized. f is stored triangular diff --git a/src/atomscf/oeigd.F b/src/atomscf/oeigd.F index 48d832e39e..acb1a844eb 100644 --- a/src/atomscf/oeigd.F +++ b/src/atomscf/oeigd.F @@ -1,5 +1,5 @@ subroutine oeigd(fc, s, u, t, h) -C$Id: oeigd.F,v 1.2 1995-02-02 23:09:03 d3g681 Exp $ +C$Id$ implicit none real *8 fc(*), s(*), u(*), t(*), h(*) c....................................................................... diff --git a/src/atomscf/orderd.F b/src/atomscf/orderd.F index 9a6eff9f91..9f13c53d86 100644 --- a/src/atomscf/orderd.F +++ b/src/atomscf/orderd.F @@ -1,5 +1,5 @@ subroutine orderd(amat,nrow,ncol,ind,vec) -C$Id: orderd.F,v 1.3 2004-03-15 22:26:49 edo Exp $ +C$Id$ implicit none c....................................................................... c this routine sorts a set of column vectors in amat(*,*) according diff --git a/src/atomscf/osatod.F b/src/atomscf/osatod.F index 82c7c683d5..22d7a5d92a 100644 --- a/src/atomscf/osatod.F +++ b/src/atomscf/osatod.F @@ -1,5 +1,5 @@ function osatod(iat,ic,iiloc,iisch,nbb) -C$Id: osatod.F,v 1.2 1995-02-02 23:09:05 d3g681 Exp $ +C$Id$ implicit none #include "geom.fh" #include "bas.fh" diff --git a/src/atomscf/outpud.F b/src/atomscf/outpud.F index 8057a6e76c..2c26fba726 100644 --- a/src/atomscf/outpud.F +++ b/src/atomscf/outpud.F @@ -1,5 +1,5 @@ subroutine outpud(copn,cc,ntest,iwr) -C$Id: outpud.F,v 1.2 1995-02-02 23:09:06 d3g681 Exp $ +C$Id$ implicit none c real *8 copn(*), cc(*) diff --git a/src/atomscf/pdfded.F b/src/atomscf/pdfded.F index dd6d4c916c..e155e84ab1 100644 --- a/src/atomscf/pdfded.F +++ b/src/atomscf/pdfded.F @@ -2,7 +2,7 @@ subroutine pdfded(k,kdim,g_dens,dhelp,factor,dmult,lm,nbci,iiloc) -C$Id: pdfded.F,v 1.2 1995-02-02 23:09:08 d3g681 Exp $ +C$Id$ implicit none c....................................................................... c diff --git a/src/atomscf/printbasis.F b/src/atomscf/printbasis.F index 000cddae35..47976457cd 100644 --- a/src/atomscf/printbasis.F +++ b/src/atomscf/printbasis.F @@ -5,7 +5,7 @@ subroutine printbasis c * write(6,*) * write(6,*) ' zn=', zn, 'nbct=', nbct, ' nsym=', nsym, ' nsht=', nsht -C$Id: printbasis.F,v 1.3 1995-02-02 23:09:09 d3g681 Exp $ +C$Id$ lobas = 1 do isym = 1, nsym write(6,*) ' isym ', isym diff --git a/src/atomscf/shalfd.F b/src/atomscf/shalfd.F index 709e4f582d..34ec4c54d4 100644 --- a/src/atomscf/shalfd.F +++ b/src/atomscf/shalfd.F @@ -1,5 +1,5 @@ subroutine shalfd(s,v,n) -C$Id: shalfd.F,v 1.6 2006-01-03 21:02:59 edo Exp $ +C$Id$ implicit none #include "errquit.fh" #include "mafdecls.fh" diff --git a/src/atomscf/square.F b/src/atomscf/square.F index ff44c64106..c37a9f0f93 100644 --- a/src/atomscf/square.F +++ b/src/atomscf/square.F @@ -1,5 +1,5 @@ subroutine square(r,a,mrowr,n) -C$Id: square.F,v 1.2 1995-02-02 23:09:11 d3g681 Exp $ +C$Id$ implicit none integer mrowr, n real *8 r(*),a(*) diff --git a/src/atomscf/src.orig b/src/atomscf/src.orig index 156b109754..e620b003ff 100644 --- a/src/atomscf/src.orig +++ b/src/atomscf/src.orig @@ -1,4 +1,4 @@ -* $Id: src.orig,v 1.3 2003-10-17 22:54:15 carlfahl Exp $ +* $Id$ function osatod(iat,ic,iiloc,iisch,nbb) c implicit none diff --git a/src/atomscf/starcd.F b/src/atomscf/starcd.F index 6fb58191c0..e9920eb4b4 100644 --- a/src/atomscf/starcd.F +++ b/src/atomscf/starcd.F @@ -1,5 +1,5 @@ subroutine starcd(c,ss,nbci,ncshi,noshi) -C$Id: starcd.F,v 1.4 2003-10-17 22:54:15 carlfahl Exp $ +C$Id$ implicit none #include "errquit.fh" integer nbci, ncshi, noshi diff --git a/src/atomscf/teigd.F b/src/atomscf/teigd.F index afbd450907..5236ea8dfe 100644 --- a/src/atomscf/teigd.F +++ b/src/atomscf/teigd.F @@ -1,5 +1,5 @@ subroutine teigd(pcap,qcap,u,t,dt,dos) -C$Id: teigd.F,v 1.4 2000-10-23 23:37:44 windus Exp $ +C$Id$ implicit none logical klnemn real *8 pcap(*),qcap(*),u(*),t(*),dos(*),dt(*) diff --git a/src/atomscf/tracd.F b/src/atomscf/tracd.F index b293ca49c4..0c8c9ce185 100644 --- a/src/atomscf/tracd.F +++ b/src/atomscf/tracd.F @@ -1,6 +1,6 @@ subroutine tracd(c, cc, nsqt, nsym, nbas, ncsh, nosh, nbc, + nstrt, cont) -C$Id: tracd.F,v 1.2 1995-02-02 23:09:16 d3g681 Exp $ +C$Id$ implicit none c....................................................................... c diff --git a/src/atomscf/trafsd.F b/src/atomscf/trafsd.F index ef67a53139..a48500a431 100644 --- a/src/atomscf/trafsd.F +++ b/src/atomscf/trafsd.F @@ -1,5 +1,5 @@ subroutine trafsd(nsym,nbas,ndim,a,nbc,cont,nstrt,ffc) -C$Id: trafsd.F,v 1.2 1995-02-02 23:09:17 d3g681 Exp $ +C$Id$ implicit none c....................................................................... c transform matrix a diff --git a/src/atomscf/tramad.F b/src/atomscf/tramad.F index 922f94babd..5e6f703f50 100644 --- a/src/atomscf/tramad.F +++ b/src/atomscf/tramad.F @@ -1,5 +1,5 @@ subroutine tramad(a,b,c,mdima,mdim,scr) -C$Id: tramad.F,v 1.2 1995-02-02 23:09:18 d3g681 Exp $ +C$Id$ implicit none c....................................................................... c diff --git a/src/atomscf/writel.F b/src/atomscf/writel.F index f344c58b4b..53ebd2a96c 100644 --- a/src/atomscf/writel.F +++ b/src/atomscf/writel.F @@ -1,5 +1,5 @@ subroutine writel(p,newbas,oprint) -C$Id: writel.F,v 1.2 1995-02-02 23:09:19 d3g681 Exp $ +C$Id$ implicit none c logical oprint diff --git a/src/basis/GNUmakefile b/src/basis/GNUmakefile index dbd24a68de..faff050279 100644 --- a/src/basis/GNUmakefile +++ b/src/basis/GNUmakefile @@ -1,4 +1,4 @@ -#$Id: GNUmakefile,v 1.47 2006-08-22 18:11:38 d3p307 Exp $ +#$Id$ TARGET = $(NWCHEM_TARGET) export ARMCI_DIR_NAME := armci ifeq ($(ARMCI_NETWORK),PORTALS) diff --git a/src/basis/MakeFile b/src/basis/MakeFile index 4801cac7dd..644f57e2d0 100644 --- a/src/basis/MakeFile +++ b/src/basis/MakeFile @@ -1,5 +1,5 @@ # -# $Id: MakeFile,v 1.7 2004-03-15 19:50:22 edo Exp $ +# $Id$ # #!MESSAGE *** Unresolved issues in this nmake file *** diff --git a/src/basis/bas.fh b/src/basis/bas.fh index 042e48ecc8..0d35fd2a80 100644 --- a/src/basis/bas.fh +++ b/src/basis/bas.fh @@ -1,4 +1,4 @@ -c $Id: bas.fh,v 1.28 2002-02-01 00:50:49 windus Exp $ +c $Id$ c:bas.fh c logical bas_checksum diff --git a/src/basis/basP.fh b/src/basis/basP.fh index 22bbbe2558..dec9a46b1c 100644 --- a/src/basis/basP.fh +++ b/src/basis/basP.fh @@ -1,4 +1,4 @@ -c $Id: basP.fh,v 1.14 1999-12-30 21:58:17 mg201 Exp $ +c $Id$ c:basP.fh c c basis set object/api diff --git a/src/basis/bas_blas.F b/src/basis/bas_blas.F index b147d1494c..86b7bc2554 100644 --- a/src/basis/bas_blas.F +++ b/src/basis/bas_blas.F @@ -1,7 +1,7 @@ * * routines from basis.F that use blas calls * -* $Id: bas_blas.F,v 1.4 2004-03-15 20:28:16 edo Exp $ +* $Id$ * logical function bas_get_exponent(basisin,icont,expon) c diff --git a/src/basis/bas_blasP.F b/src/basis/bas_blasP.F index 72c201314e..2fc3fd92c0 100644 --- a/src/basis/bas_blasP.F +++ b/src/basis/bas_blasP.F @@ -1,7 +1,7 @@ * * routines from basisP.F that use blas calls * -* $Id: bas_blasP.F,v 1.12 2003-10-17 22:54:17 carlfahl Exp $ +* $Id$ * *..................................................................... logical function bas_add_ucnt(basis, tag, l_value, ngen, nprim, diff --git a/src/basis/bas_checksum.F b/src/basis/bas_checksum.F index 1bb3219737..e3e041390f 100644 --- a/src/basis/bas_checksum.F +++ b/src/basis/bas_checksum.F @@ -1,7 +1,7 @@ logical function bas_checksum(basisin, sum) implicit none * -* $Id: bas_checksum.F,v 1.3 1999-07-14 00:28:50 d3e129 Exp $ +* $Id$ * #include "nwc_const.fh" #include "basP.fh" diff --git a/src/basis/bas_contrib.F b/src/basis/bas_contrib.F index 32ffc84e4a..208dc35c21 100644 --- a/src/basis/bas_contrib.F +++ b/src/basis/bas_contrib.F @@ -1,6 +1,6 @@ subroutine bas_all_ce_info(basis, cnr, bfr) * -* $Id: bas_contrib.F,v 1.3 2003-10-17 22:54:17 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/basis/bas_exndcf.fh b/src/basis/bas_exndcf.fh index 9e2f13cfb3..0d6bdd58f0 100644 --- a/src/basis/bas_exndcf.fh +++ b/src/basis/bas_exndcf.fh @@ -4,7 +4,7 @@ c This cannot be used in a routine with a data statement. c .... you must separately include the _dec and _sfn include files c .... if you have data statements. c---------------------------------------------------------------------- -* $Id: bas_exndcf.fh,v 1.2 1996-01-23 08:34:07 d3e129 Exp $ +* $Id$ c c... statement functions to get exndcf from heap c... sf_exndcf gives value of exndcf diff --git a/src/basis/bas_exndcf_dec.fh b/src/basis/bas_exndcf_dec.fh index f397c3448b..ae3fafe332 100644 --- a/src/basis/bas_exndcf_dec.fh +++ b/src/basis/bas_exndcf_dec.fh @@ -1,7 +1,7 @@ c---------------------------------------------------------------------- c.. this include only has the declarations c---------------------------------------------------------------------- -* $Id: bas_exndcf_dec.fh,v 1.2 1996-01-23 08:34:09 d3e129 Exp $ +* $Id$ c c... statement functions to get exndcf from heap c... exndcf_sf gives value of index diff --git a/src/basis/bas_exndcf_sfn.fh b/src/basis/bas_exndcf_sfn.fh index 0a79e8fb44..3bfd95cd49 100644 --- a/src/basis/bas_exndcf_sfn.fh +++ b/src/basis/bas_exndcf_sfn.fh @@ -3,7 +3,7 @@ c.. this include only has the statement function definitions c---------------------------------------------------------------------- c NOTE: this must be included AFTER bas_exndcf_dec.fh c---------------------------------------------------------------------- -* $Id: bas_exndcf_sfn.fh,v 1.2 1996-01-23 08:34:10 d3e129 Exp $ +* $Id$ c c... statement functions to get exndcf from heap c... sf_exndcf gives value of the array diff --git a/src/basis/bas_ibs.fh b/src/basis/bas_ibs.fh index 28e7707cc6..ecf0848803 100644 --- a/src/basis/bas_ibs.fh +++ b/src/basis/bas_ibs.fh @@ -4,7 +4,7 @@ c This cannot be used in a routine with a data statement. c .... you must separately include the _dec and _sfn include files c .... if you have data statements. c---------------------------------------------------------------------- -* $Id: bas_ibs.fh,v 1.3 1999-07-08 19:10:50 d3e129 Exp $ +* $Id$ c c... statement functions to get ibs arrays from heap c... sf_ibs_XX gives value of index diff --git a/src/basis/bas_ibs_dec.fh b/src/basis/bas_ibs_dec.fh index 0940658d36..1a091d70ed 100644 --- a/src/basis/bas_ibs_dec.fh +++ b/src/basis/bas_ibs_dec.fh @@ -1,7 +1,7 @@ c---------------------------------------------------------------------- c include for only declarations c---------------------------------------------------------------------- -* $Id: bas_ibs_dec.fh,v 1.3 1999-07-08 19:10:50 d3e129 Exp $ +* $Id$ c c... statement functions to get ibs arrays from heap c... sf_ibs_XXX gives value of index diff --git a/src/basis/bas_ibs_sfn.fh b/src/basis/bas_ibs_sfn.fh index 4e7fb397e6..98a2e457c3 100644 --- a/src/basis/bas_ibs_sfn.fh +++ b/src/basis/bas_ibs_sfn.fh @@ -1,7 +1,7 @@ c---------------------------------------------------------------------- c include for only statement functions. c---------------------------------------------------------------------- -* $Id: bas_ibs_sfn.fh,v 1.3 1999-07-08 19:10:50 d3e129 Exp $ +* $Id$ c c... statement functions to get ibs arrays from heap c... sf_ibs_XXX gives value of index diff --git a/src/basis/bas_input.F b/src/basis/bas_input.F index 060da3210a..1610c7916e 100644 --- a/src/basis/bas_input.F +++ b/src/basis/bas_input.F @@ -1,5 +1,5 @@ subroutine bas_input(rtdb) -c $Id: bas_input.F,v 1.67 2008-01-18 22:01:14 bert Exp $ +c $Id$ implicit none #include "errquit.fh" #include "rtdb.fh" diff --git a/src/basis/bas_starP.fh b/src/basis/bas_starP.fh index e3fa6d14fc..ed815e7fce 100644 --- a/src/basis/bas_starP.fh +++ b/src/basis/bas_starP.fh @@ -1,4 +1,4 @@ -* $Id: bas_starP.fh,v 1.1 2001-12-05 21:26:29 bert Exp $ +* $Id$ c c Common blocks used at input and bas_rtdb_load/store, handling c basis directive input lines containing a * in their tag diff --git a/src/basis/bas_staticP.fh b/src/basis/bas_staticP.fh index 1800439fac..d33c7787cb 100644 --- a/src/basis/bas_staticP.fh +++ b/src/basis/bas_staticP.fh @@ -1,4 +1,4 @@ -c $Id: bas_staticP.fh,v 1.10 1999-07-14 00:28:50 d3e129 Exp $ +c $Id$ c:bas_staticP.fh c c Maximum parameter definitions for static "in-core" data structure diff --git a/src/basis/bas_vec_info.F b/src/basis/bas_vec_info.F index a91a457fc3..c337d14199 100644 --- a/src/basis/bas_vec_info.F +++ b/src/basis/bas_vec_info.F @@ -1,6 +1,6 @@ logical function bas_vec_info(basis, info) * -* $Id: bas_vec_info.F,v 1.7 2003-10-17 22:54:17 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/basis/basdeclsP.fh b/src/basis/basdeclsP.fh index c989ec7d74..9d419da341 100644 --- a/src/basis/basdeclsP.fh +++ b/src/basis/basdeclsP.fh @@ -1,4 +1,4 @@ -c $Id: basdeclsP.fh,v 1.8 1999-12-30 21:58:17 mg201 Exp $ +c $Id$ c c compressed array pointer information variables. c diff --git a/src/basis/basis.F b/src/basis/basis.F index 2ff823af2e..1ca5326690 100644 --- a/src/basis/basis.F +++ b/src/basis/basis.F @@ -1,5 +1,5 @@ logical function bas_version() -c $Id: basis.F,v 1.125 2004-04-29 03:33:55 edo Exp $ +c $Id$ c c: Routine that calclulates the size of the common block structures c used in the basis set object and the mapped representation object. diff --git a/src/basis/basis.doc b/src/basis/basis.doc index 67d4861459..df7bb5218b 100644 --- a/src/basis/basis.doc +++ b/src/basis/basis.doc @@ -1,4 +1,4 @@ -# $Id: basis.doc,v 1.7 1994-05-24 18:44:55 d3e129 Exp $ +# $Id$ Basis Set Object/API Rick A. Kendall and Robert J. Harrison (April/May 1994) diff --git a/src/basis/basisP.F b/src/basis/basisP.F index 7b7ab7c2f5..efd216d499 100644 --- a/src/basis/basisP.F +++ b/src/basis/basisP.F @@ -1,6 +1,6 @@ subroutine print_exndcf(msg) implicit none -c $Id: basisP.F,v 1.24 2003-10-17 22:54:18 carlfahl Exp $ +c $Id$ #include "nwc_const.fh" #include "basP.fh" #include "util.fh" diff --git a/src/basis/baslibraryP.fh b/src/basis/baslibraryP.fh index 52dee2439b..f5b3e9051c 100644 --- a/src/basis/baslibraryP.fh +++ b/src/basis/baslibraryP.fh @@ -1,3 +1,3 @@ -* $Id: baslibraryP.fh,v 1.3 1998-02-12 22:27:35 d3e129 Exp $ +* $Id$ character*256 user_library_name common /bas_input_library/ user_library_name diff --git a/src/basis/compare.F b/src/basis/compare.F index 6c2caecd88..b44d596032 100644 --- a/src/basis/compare.F +++ b/src/basis/compare.F @@ -1,5 +1,5 @@ program compare -* $Id: compare.F,v 1.3 2002-01-02 21:54:04 bert Exp $ +* $Id$ implicit none #include "nwc_const.fh" #include "stdio.fh" diff --git a/src/basis/convert/end2end.pl b/src/basis/convert/end2end.pl index 7081c6d8a6..a0f083588d 100755 --- a/src/basis/convert/end2end.pl +++ b/src/basis/convert/end2end.pl @@ -1,7 +1,7 @@ #!/bin/env perl # -*-Perl-*- # -# $Id: end2end.pl,v 1.1 1998-08-11 18:11:04 d3e129 Exp $ +# $Id$ # # look at NWCHEM.BSLIB and identify lines where # END diff --git a/src/basis/convert/gen_liblist.pl b/src/basis/convert/gen_liblist.pl index 9acff74fa1..dd784d3593 100755 --- a/src/basis/convert/gen_liblist.pl +++ b/src/basis/convert/gen_liblist.pl @@ -1,7 +1,7 @@ #!/bin/env perl # -*-Perl-*- # -# $Id: gen_liblist.pl,v 1.4 1998-08-14 23:28:02 d3e129 Exp $ +# $Id$ # # get the basis family names and atom list from an nwchem formatted library # diff --git a/src/basis/convert/getfromFeller b/src/basis/convert/getfromFeller index f92ab679c5..79bb40bcb6 100755 --- a/src/basis/convert/getfromFeller +++ b/src/basis/convert/getfromFeller @@ -1,6 +1,6 @@ #!/bin/csh # -# $Id: getfromFeller,v 1.1 1998-08-11 18:11:04 d3e129 Exp $ +# $Id$ # # gets current NWCHEM.BSLIB from Feller at source point noted below # diff --git a/src/basis/convert/grepsort b/src/basis/convert/grepsort index e7fb40b5d9..8e5443162e 100755 --- a/src/basis/convert/grepsort +++ b/src/basis/convert/grepsort @@ -1,6 +1,6 @@ #!/bin/csh -x # -# $Id: grepsort,v 1.1 1998-08-11 18:25:56 d3e129 Exp $ +# $Id$ # # do grep/sorting to check diffs between new and old library # diff --git a/src/basis/ecpso_decP.fh b/src/basis/ecpso_decP.fh index 4b917be6ba..a016b8c558 100644 --- a/src/basis/ecpso_decP.fh +++ b/src/basis/ecpso_decP.fh @@ -1,5 +1,5 @@ * -* $Id: ecpso_decP.fh,v 1.3 1999-07-27 18:25:32 windus Exp $ +* $Id$ *::cr::7 *--------------------------------------------------* * COPYRIGHT (C) 1994, 1995, 1996, 1997, 1998, 1999 * diff --git a/src/basis/ecpso_sfnP.fh b/src/basis/ecpso_sfnP.fh index 054a688785..0b2e84a6db 100644 --- a/src/basis/ecpso_sfnP.fh +++ b/src/basis/ecpso_sfnP.fh @@ -1,5 +1,5 @@ * -* $Id: ecpso_sfnP.fh,v 1.3 1999-07-27 18:25:33 windus Exp $ +* $Id$ *::cr::7 *--------------------------------------------------* * COPYRIGHT (C) 1994, 1995, 1996, 1997, 1998, 1999 * diff --git a/src/basis/geobasmapP.fh b/src/basis/geobasmapP.fh index 659ec23980..f6481bfc61 100644 --- a/src/basis/geobasmapP.fh +++ b/src/basis/geobasmapP.fh @@ -1,5 +1,5 @@ c:geobasmapP.fh -c $Id: geobasmapP.fh,v 1.4 1998-04-29 07:29:54 d3e129 Exp $ +c $Id$ c cNOTE: this MUST follow basP.fh in the include order c diff --git a/src/basis/libcheck.F b/src/basis/libcheck.F index fd47380d08..04d13bfb04 100644 --- a/src/basis/libcheck.F +++ b/src/basis/libcheck.F @@ -1,5 +1,5 @@ program libcheck -* $Id: libcheck.F,v 1.5 2001-12-14 19:20:35 bert Exp $ +* $Id$ implicit none #include "inp.fh" #include "nwc_const.fh" diff --git a/src/basis/libraries/q-aug-cc-pv5z_diffuse b/src/basis/libraries/q-aug-cc-pv5z_diffuse index 6849fff1d5..9d83f3f302 100644 --- a/src/basis/libraries/q-aug-cc-pv5z_diffuse +++ b/src/basis/libraries/q-aug-cc-pv5z_diffuse @@ -1,4 +1,4 @@ -# $Id: q-aug-cc-pv5z_diffuse,v 1.1 2008-11-02 22:32:52 jhammond Exp $ +# $Id$ basis "H_q-aug-cc-pV5Z_Diffuse" SPHERICAL H S 0.0004760649672 1.0000000000 diff --git a/src/basis/libraries/q-aug-cc-pv6z_diffuse b/src/basis/libraries/q-aug-cc-pv6z_diffuse index e71130d46f..460688919c 100644 --- a/src/basis/libraries/q-aug-cc-pv6z_diffuse +++ b/src/basis/libraries/q-aug-cc-pv6z_diffuse @@ -1,4 +1,4 @@ -# $Id: q-aug-cc-pv6z_diffuse,v 1.3 2009-02-04 14:40:19 jhammond Exp $ +# $Id$ basis "H_q-aug-cc-pV6Z_Diffuse" SPHERICAL H S 0.0005313455911 1.00000000 diff --git a/src/basis/libraries/q-aug-cc-pvdz_diffuse b/src/basis/libraries/q-aug-cc-pvdz_diffuse index 74bc2b3953..7de16fc2cf 100644 --- a/src/basis/libraries/q-aug-cc-pvdz_diffuse +++ b/src/basis/libraries/q-aug-cc-pvdz_diffuse @@ -1,4 +1,4 @@ -# $Id: q-aug-cc-pvdz_diffuse,v 1.1 2008-10-29 13:04:54 jhammond Exp $ +# $Id$ basis "H_q-aug-cc-pVDZ_Diffuse" SPHERICAL H S 0.0004308086004 1.0000000000 diff --git a/src/basis/libraries/q-aug-cc-pvqz_diffuse b/src/basis/libraries/q-aug-cc-pvqz_diffuse index e48fba325f..61f26413d7 100644 --- a/src/basis/libraries/q-aug-cc-pvqz_diffuse +++ b/src/basis/libraries/q-aug-cc-pvqz_diffuse @@ -1,4 +1,4 @@ -# $Id: q-aug-cc-pvqz_diffuse,v 1.2 2008-10-31 23:14:35 jhammond Exp $ +# $Id$ basis "H_q-aug-cc-pVQZ_Diffuse" SPHERICAL H S 0.0004292603203 1.0000000000 diff --git a/src/basis/libraries/q-aug-cc-pvtz_diffuse b/src/basis/libraries/q-aug-cc-pvtz_diffuse index f8f36c587e..47bc11d961 100644 --- a/src/basis/libraries/q-aug-cc-pvtz_diffuse +++ b/src/basis/libraries/q-aug-cc-pvtz_diffuse @@ -1,4 +1,4 @@ -# $Id: q-aug-cc-pvtz_diffuse,v 1.1 2008-10-29 13:04:55 jhammond Exp $ +# $Id$ basis "H_q-aug-cc-pVTZ_Diffuse" SPHERICAL H S 0.0003758564903 1.0000000000 diff --git a/src/basis/libraries/roos-ano-dz b/src/basis/libraries/roos-ano-dz index 828ba389f7..de9f221a14 100644 --- a/src/basis/libraries/roos-ano-dz +++ b/src/basis/libraries/roos-ano-dz @@ -1,4 +1,4 @@ -# $Id: roos-ano-dz,v 1.0 2009-10-25 12:11:08 jhammond Exp $ +# $Id$ # # Roos Augmented Double Zeta ANO EMSL Basis Set Exchange Library 10/25/09 12:10 PM # Elements References diff --git a/src/basis/libraries/roos-ano-tz b/src/basis/libraries/roos-ano-tz index ed1dbe0048..946d68e8de 100644 --- a/src/basis/libraries/roos-ano-tz +++ b/src/basis/libraries/roos-ano-tz @@ -1,4 +1,4 @@ -# $Id: roos-ano-tz,v 1.0 2009-10-25 23:41:08 jhammond Exp $ +# $Id$ # # Roos Augmented Triple Zeta ANO EMSL Basis Set Exchange Library 10/25/09 12:12 PM # Elements References diff --git a/src/basis/libraries/t-aug-cc-pv5z_diffuse b/src/basis/libraries/t-aug-cc-pv5z_diffuse index c530cce9d3..cb90ed9301 100644 --- a/src/basis/libraries/t-aug-cc-pv5z_diffuse +++ b/src/basis/libraries/t-aug-cc-pv5z_diffuse @@ -1,4 +1,4 @@ -# $Id: t-aug-cc-pv5z_diffuse,v 1.1 2008-03-19 22:18:09 jhammond Exp $ +# $Id$ basis "H_t-aug-cc-pV5Z_Diffuse" SPHERICAL H S 0.16700000000E-02 1.0000000000 diff --git a/src/basis/libraries/t-aug-cc-pv6z_diffuse b/src/basis/libraries/t-aug-cc-pv6z_diffuse index 8adc580bb9..f620fb9688 100644 --- a/src/basis/libraries/t-aug-cc-pv6z_diffuse +++ b/src/basis/libraries/t-aug-cc-pv6z_diffuse @@ -1,4 +1,4 @@ -# $Id: t-aug-cc-pv6z_diffuse,v 1.3 2008-11-02 22:32:52 jhammond Exp $ +# $Id$ basis "H_t-aug-cc-pV6Z_Diffuse" SPHERICAL H S 0.001747452 1.00000000 diff --git a/src/basis/libraries/t-aug-cc-pvdz_diffuse b/src/basis/libraries/t-aug-cc-pvdz_diffuse index 3d28e4b9ed..f1b0f221bd 100644 --- a/src/basis/libraries/t-aug-cc-pvdz_diffuse +++ b/src/basis/libraries/t-aug-cc-pvdz_diffuse @@ -1,4 +1,4 @@ -# $Id: t-aug-cc-pvdz_diffuse,v 1.1 2008-03-18 14:19:56 jhammond Exp $ +# $Id$ basis "H_t-aug-cc-pVDZ_Diffuse" SPHERICAL H S 0.17700000000E-02 1.0000000000 diff --git a/src/basis/libraries/t-aug-cc-pvqz_diffuse b/src/basis/libraries/t-aug-cc-pvqz_diffuse index 835bb1a302..371bd5b93b 100644 --- a/src/basis/libraries/t-aug-cc-pvqz_diffuse +++ b/src/basis/libraries/t-aug-cc-pvqz_diffuse @@ -1,4 +1,4 @@ -# $Id: t-aug-cc-pvqz_diffuse,v 1.1 2008-03-18 14:19:56 jhammond Exp $ +# $Id$ basis "H_t-aug-cc-pVQZ_Diffuse" SPHERICAL H S 0.16300000000E-02 1.0000000000 diff --git a/src/basis/libraries/t-aug-cc-pvtz_diffuse b/src/basis/libraries/t-aug-cc-pvtz_diffuse index 24098b4b54..2f1c5c891f 100644 --- a/src/basis/libraries/t-aug-cc-pvtz_diffuse +++ b/src/basis/libraries/t-aug-cc-pvtz_diffuse @@ -1,4 +1,4 @@ -# $Id: t-aug-cc-pvtz_diffuse,v 1.1 2008-03-18 14:19:56 jhammond Exp $ +# $Id$ basis "H_t-aug-cc-pVTZ_Diffuse" SPHERICAL H S 0.15300000000E-02 1.0000000000 diff --git a/src/basis/libraries/z3pol b/src/basis/libraries/z3pol index e540f98cd8..c7a0cdb53b 100644 --- a/src/basis/libraries/z3pol +++ b/src/basis/libraries/z3pol @@ -1,4 +1,4 @@ -# $Id: z3pol,v 1.1 2008-03-23 00:54:07 jhammond Exp $ +# $Id$ basis "H_Z3Pol" SPHERICAL H S 33.685014 0.006080 diff --git a/src/basis/newbasis.F b/src/basis/newbasis.F index ff150a764b..886c2e0f0f 100644 --- a/src/basis/newbasis.F +++ b/src/basis/newbasis.F @@ -1,5 +1,5 @@ subroutine bas_dummmmmm() -C$Id: newbasis.F,v 1.2 1995-02-02 23:09:33 d3g681 Exp $ +C$Id$ implicit none integer i i = 0.0 diff --git a/src/basis/testbasis.F b/src/basis/testbasis.F index c1e19c1cf8..c4693b748a 100644 --- a/src/basis/testbasis.F +++ b/src/basis/testbasis.F @@ -1,5 +1,5 @@ program testbasis -c $Id: testbasis.F,v 1.22 2003-10-17 22:54:18 carlfahl Exp $ +c $Id$ implicit none #include "errquit.fh" c diff --git a/src/cafe/GNUmakefile b/src/cafe/GNUmakefile index 6210ed5ac9..de2ac2acc9 100644 --- a/src/cafe/GNUmakefile +++ b/src/cafe/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.9 2006-09-18 15:42:14 d3j191 Exp $ +# $Id$ # OBJ_OPTIMIZE=cf_d.o cf_fp.o cf_f.o\ cf_finish.o\ diff --git a/src/cafe/cf_common.fh b/src/cafe/cf_common.fh index a45c7cdf5e..0c4b36a659 100644 --- a/src/cafe/cf_common.fh +++ b/src/cafe/cf_common.fh @@ -1,4 +1,4 @@ -c $Id: cf_common.fh,v 1.53 2006-09-18 15:42:14 d3j191 Exp $ +c $Id$ c real*8 zero,tiny,small real*8 fourth,third,half,one,two,three,four,six,twelve diff --git a/src/cafe/cf_d.F b/src/cafe/cf_d.F index 21257f9d01..14865dd274 100644 --- a/src/cafe/cf_d.F +++ b/src/cafe/cf_d.F @@ -1,7 +1,7 @@ subroutine cf_dww(xw,xwm,pw,pwp,iwfrom,nlocw,lpbc,chg,iwq, + lwwndx,lwwjpt,lwwin,lwwj,rwc,xi,xj,rwx,pl,pj,fi,fj) c -c $Id: cf_d.F,v 1.7 2003-10-19 03:30:56 d3j191 Exp $ +c $Id$ c implicit none c @@ -288,7 +288,7 @@ subroutine cf_dsw(xs,xsm,ps,psp,isdt,ismf,isml,isq1,isfrom,nums, + xw,xwm,pw,pwp,iwq,lpbc,chg,lswndx,lswjpt,lswin,lswj, + rwc,xi,xj,rwx,pl,pj,fi,fj,isal) c -c $Id: cf_d.F,v 1.7 2003-10-19 03:30:56 d3j191 Exp $ +c $Id$ c implicit none c @@ -677,7 +677,7 @@ subroutine cf_dss(xs,xsm,ps,psp,ismf,isml,isq2,isq3,isfrom,nums, + lpbc,chg,lssndx,lssjpt,lssin,lssj,xi,xj,rwc,rwi1,rwi2,rwi6, + rwx,rw,fi,fj,f,isal,jsal,jmal,jfal,pl,pj) c -c $Id: cf_d.F,v 1.7 2003-10-19 03:30:56 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/cafe/cf_f.fh b/src/cafe/cf_f.fh index 35a1682953..9009bb27d8 100644 --- a/src/cafe/cf_f.fh +++ b/src/cafe/cf_f.fh @@ -13,7 +13,7 @@ c,rdf,ngt,iagc,jagc,igrc,u,uwmw) c error #endif c -c $Id: cf_f.fh,v 1.66 2008-04-01 16:34:50 d3j191 Exp $ +c $Id$ c implicit none c @@ -759,7 +759,7 @@ c c error #endif c -c $Id: cf_f.fh,v 1.66 2008-04-01 16:34:50 d3j191 Exp $ +c $Id$ c implicit none c @@ -1899,7 +1899,7 @@ c c error #endif c -c $Id: cf_f.fh,v 1.66 2008-04-01 16:34:50 d3j191 Exp $ +c $Id$ c implicit none c @@ -3070,7 +3070,7 @@ c + natoms,ndim,igan,isgm,imol,idyn,ichg,chg,xs,fs,ess,lpbc,lpbcs, + lupden,lupdti,dera,lseq) c -c $Id: cf_f.fh,v 1.66 2008-04-01 16:34:50 d3j191 Exp $ +c $Id$ c c cf_fsb returns forces and energies for solute bonds c @@ -3380,7 +3380,7 @@ c + natoms,ndim,igan,isgm,imol,idyn,ichg,chg,xs,fs,ess,lpbc,lpbcs, + lupden,lupdti,dera,lseq) c -c $Id: cf_f.fh,v 1.66 2008-04-01 16:34:50 d3j191 Exp $ +c $Id$ c c cf_fsh returns forces and energies for solute angles c @@ -3803,7 +3803,7 @@ c + natoms,ndim,igan,isgm,imol,idyn,xs,fs,ess,lpbc,lpbcs,lupden, + lupdti,dera,lseq) c -c $Id: cf_f.fh,v 1.66 2008-04-01 16:34:50 d3j191 Exp $ +c $Id$ c c cf_fsd returns forces and energies for solute angles c @@ -4149,7 +4149,7 @@ c + natoms,ndim,igan,isgm,imol,idyn,xs,fs,ess,lpbc,lpbcs,lupden, + lupdti,dera,lseq) c -c $Id: cf_f.fh,v 1.66 2008-04-01 16:34:50 d3j191 Exp $ +c $Id$ c c cf_fso returns forces and energies for solute improper dihedral angles c @@ -4479,7 +4479,7 @@ c + iatt,igan,isgm,imol,idyn,ichg,isss,xs,fs,ess,lpbc,lpbcs,dera, + esa,lseq) c -c $Id: cf_f.fh,v 1.66 2008-04-01 16:34:50 d3j191 Exp $ +c $Id$ c c cf_fst returns forces and energies for solute third neighbors c @@ -4896,7 +4896,7 @@ c + mwd,nwd,ndp,idih,dih,rdih,mwo,nwo,nop,iimp,dimp,rimp, + mwt,nwt,idwt,mwn,nwn,idwn) c -c $Id: cf_f.fh,v 1.66 2008-04-01 16:34:50 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/cafe/cf_finish.F b/src/cafe/cf_finish.F index 3be7174163..63caee40d9 100644 --- a/src/cafe/cf_finish.F +++ b/src/cafe/cf_finish.F @@ -1,5 +1,5 @@ subroutine cf_finish() -c $Id: cf_finish.F,v 1.23 2006-09-18 15:42:14 d3j191 Exp $ +c $Id$ implicit none c #include "cf_common.fh" diff --git a/src/cafe/cf_forcep.F b/src/cafe/cf_forcep.F index 5c222dd4d4..f1c1e72346 100644 --- a/src/cafe/cf_forcep.F +++ b/src/cafe/cf_forcep.F @@ -1,3 +1,3 @@ -c $Id: cf_forcep.F,v 1.2 1999-07-29 00:57:12 d3e129 Exp $ +c $Id$ #define CAFE_POLARIZATION #include "cf_forces.fh" diff --git a/src/cafe/cf_forces.F b/src/cafe/cf_forces.F index 0aaf0d9757..1eb52a6c3d 100644 --- a/src/cafe/cf_forces.F +++ b/src/cafe/cf_forces.F @@ -1,3 +1,3 @@ -c $Id: cf_forces.F,v 1.4 1999-07-29 00:57:12 d3e129 Exp $ +c $Id$ #define CAFE_FORCES #include "cf_forces.fh" diff --git a/src/cafe/cf_forces.fh b/src/cafe/cf_forces.fh index cd042d5160..2671713011 100644 --- a/src/cafe/cf_forces.fh +++ b/src/cafe/cf_forces.fh @@ -1,4 +1,4 @@ -c $Id: cf_forces.fh,v 1.24 2006-09-18 15:42:14 d3j191 Exp $ +c $Id$ #if defined(CAFE_POLARIZATION) subroutine forcep(lself,lpbcs, + xw,xwm,fw,pw,pwp,zwi,rtos,iwdt,iwz, diff --git a/src/cafe/cf_fp.F b/src/cafe/cf_fp.F index ed67865967..ac928806eb 100644 --- a/src/cafe/cf_fp.F +++ b/src/cafe/cf_fp.F @@ -1,3 +1,3 @@ -c $Id: cf_fp.F,v 1.2 1999-07-29 00:57:12 d3e129 Exp $ +c $Id$ #define CAFE_POLARIZATION #include "cf_f.fh" diff --git a/src/cafe/cf_funcs.fh b/src/cafe/cf_funcs.fh index 6ad8cf7e23..a3c8817755 100644 --- a/src/cafe/cf_funcs.fh +++ b/src/cafe/cf_funcs.fh @@ -1,5 +1,5 @@ c -c $Id: cf_funcs.fh,v 1.2 1999-02-17 03:33:26 d3j191 Exp $ +c $Id$ c c c erfc(x)=1.0/((1.0+x*(0.278393+x*(0.230389+x*(0.000972+ diff --git a/src/cafe/cf_grid.F b/src/cafe/cf_grid.F index e299971846..f2db81c859 100644 --- a/src/cafe/cf_grid.F +++ b/src/cafe/cf_grid.F @@ -1,5 +1,5 @@ subroutine cf_alpha -c $Id: cf_grid.F,v 1.20 2004-12-08 20:37:12 d3j191 Exp $ +c $Id$ implicit none c #include "cf_common.fh" diff --git a/src/cafe/cf_hopping.F b/src/cafe/cf_hopping.F index 3f43dcae83..9355a6cff7 100644 --- a/src/cafe/cf_hopping.F +++ b/src/cafe/cf_hopping.F @@ -1,7 +1,7 @@ logical function cf_hopping(lpbc,lpbcs,stimei, + isl,issgm,isgan,isq3,ishop,xs,nsaloc) c -c $Id: cf_hopping.F,v 1.17 2006-09-18 15:42:14 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/cafe/cf_induce.F b/src/cafe/cf_induce.F index eef22da787..71b60de3e2 100644 --- a/src/cafe/cf_induce.F +++ b/src/cafe/cf_induce.F @@ -31,7 +31,7 @@ subroutine induce(lself,lpbcs,xw,xwm,pw,pwp,iwdt,iwz, c c dimensions nwm,nwa and nsa need to have been given by a call to cf_initx c -c $Id: cf_induce.F,v 1.9 2005-01-08 19:17:20 d3j191 Exp $ +c $Id$ implicit none c #include "cf_common.fh" diff --git a/src/cafe/cf_init.F b/src/cafe/cf_init.F index 40dede82b1..7fad9fa68d 100644 --- a/src/cafe/cf_init.F +++ b/src/cafe/cf_init.F @@ -7,7 +7,7 @@ subroutine cf_start(irtdbi,logqmd,lfnout,lfntop,filtop,ndistr, + ipset2,issscl,delta,nfanal,lpbc,npgi,fldi,fvec,ffrq,npenrg,ictrl, + nbiasi,mropti,incl,ltwn,nseqi,i_lseqi,nfhopi,rhopi,thopi,ndumsi, + ipbtpi,lfnhopi,iradgi,nbgeti,npreci) -c $Id: cf_init.F,v 1.110 2007-08-03 19:16:45 d3j191 Exp $ +c $Id$ implicit none c #include "cf_common.fh" diff --git a/src/cafe/cf_list.F b/src/cafe/cf_list.F index 6c5d528261..43139b2723 100644 --- a/src/cafe/cf_list.F +++ b/src/cafe/cf_list.F @@ -1,6 +1,6 @@ subroutine cf_lww(lself,lpbc,xwm,idt,iwfr,iwto,jwfr,jwto, + nlocw,mpairs,npairs,lwwjpt,lwwin,lwwj,list,rwx,rw) -c $Id: cf_list.F,v 1.33 2006-09-18 15:42:14 d3j191 Exp $ +c $Id$ implicit none c #include "cf_common.fh" diff --git a/src/cafe/cf_main.F b/src/cafe/cf_main.F index 138ebb55f5..13ae6559c7 100644 --- a/src/cafe/cf_main.F +++ b/src/cafe/cf_main.F @@ -1,5 +1,5 @@ subroutine cf_weight(numw,nums,isat,isml,ishop,wbx) -c $Id: cf_main.F,v 1.182 2008-08-22 21:15:58 bert Exp $ +c $Id$ implicit none c #include "cf_common.fh" diff --git a/src/cafe/cf_pairs.F b/src/cafe/cf_pairs.F index d8f87b48b4..20ada4b7e5 100644 --- a/src/cafe/cf_pairs.F +++ b/src/cafe/cf_pairs.F @@ -30,7 +30,7 @@ subroutine pairs(lself,lpbcs,xw,xwm,iwdt,iwz, c c dimensions nwm,nwa and nsa need to have been given by a call to cf_initx c -c $Id: cf_pairs.F,v 1.15 2006-09-18 15:42:14 d3j191 Exp $ +c $Id$ implicit none c #include "cf_common.fh" diff --git a/src/cafe/cf_pbc.F b/src/cafe/cf_pbc.F index e39951f84c..47dd894f8c 100644 --- a/src/cafe/cf_pbc.F +++ b/src/cafe/cf_pbc.F @@ -1,6 +1,6 @@ subroutine cf_pbc(iopt,xd,ndd,xc,ndc,noff,n0,n1) c -c $Id: cf_pbc.F,v 1.6 2000-03-17 05:30:27 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/cafe/cf_rdgeom.F b/src/cafe/cf_rdgeom.F index 62115cfb97..10833d4cef 100644 --- a/src/cafe/cf_rdgeom.F +++ b/src/cafe/cf_rdgeom.F @@ -1,5 +1,5 @@ subroutine cf_rdgeom(snam) -c $Id: cf_rdgeom.F,v 1.12 2005-01-08 20:24:31 d3j191 Exp $ +c $Id$ implicit none c #include "cf_common.fh" diff --git a/src/cafe/cf_rdtop.F b/src/cafe/cf_rdtop.F index a2d02b042f..ab95b26635 100644 --- a/src/cafe/cf_rdtop.F +++ b/src/cafe/cf_rdtop.F @@ -1,5 +1,5 @@ subroutine cf_rdtop(lfntop,filtop,snam) -c $Id: cf_rdtop.F,v 1.37 2007-08-03 19:16:45 d3j191 Exp $ +c $Id$ implicit none c #include "cf_common.fh" diff --git a/src/cafe/cf_shake.F b/src/cafe/cf_shake.F index f03fa270df..2d9f0e257e 100644 --- a/src/cafe/cf_shake.F +++ b/src/cafe/cf_shake.F @@ -1,5 +1,5 @@ subroutine cf_shakew(xw,yw,iwgm,iwdt,numw) -c $Id: cf_shake.F,v 1.27 2006-09-18 15:42:15 d3j191 Exp $ +c $Id$ implicit none c #include "cf_common.fh" diff --git a/src/cafe/pme_common.fh b/src/cafe/pme_common.fh index 45d8541f19..ca2286a8c0 100644 --- a/src/cafe/pme_common.fh +++ b/src/cafe/pme_common.fh @@ -1,4 +1,4 @@ -c $Id: pme_common.fh,v 1.9 2004-03-26 23:40:28 d3j191 Exp $ +c $Id$ c real*8 zero,small,half,one,two,four parameter(zero=0.0d0) diff --git a/src/cafe/pme_fft.F b/src/cafe/pme_fft.F index 3539a11f79..e58ee56716 100644 --- a/src/cafe/pme_fft.F +++ b/src/cafe/pme_fft.F @@ -1,6 +1,6 @@ subroutine pme_fft(nd1,nd2,nd3,isgn,x1,x2, $ map1,map2,knode,itype) -c $Id: pme_fft.F,v 1.21 2004-01-31 20:17:09 d3j191 Exp $ +c $Id$ implicit none c #include "pme_common.fh" diff --git a/src/cafe/pme_grid.F b/src/cafe/pme_grid.F index 2bdbe61436..d2f5ce92d1 100644 --- a/src/cafe/pme_grid.F +++ b/src/cafe/pme_grid.F @@ -1,5 +1,5 @@ subroutine pme_chgrid(ipset,xw,nwmloc,xs,isq,isgm,nsaloc,epme) -c $Id: pme_grid.F,v 1.35 2004-03-26 23:40:28 d3j191 Exp $ +c $Id$ implicit none c #include "pme_common.fh" diff --git a/src/cafe/pme_init.F b/src/cafe/pme_init.F index f7cf33c633..6c78e97d81 100644 --- a/src/cafe/pme_init.F +++ b/src/cafe/pme_init.F @@ -1,6 +1,6 @@ subroutine pme_start(a,m,imffti,nodpmi, + ngxi,ngyi,ngzi,nwm,nwa,nsa,ictrl,nbgeti) -c $Id: pme_init.F,v 1.23 2004-03-26 23:40:28 d3j191 Exp $ +c $Id$ implicit none c integer nodpmi,ngxi,ngyi,ngzi,imffti,nwm,nwa,nsa,m diff --git a/src/ccca/GNUmakefile b/src/ccca/GNUmakefile index d2bf6ef69a..5bdafa2c2b 100644 --- a/src/ccca/GNUmakefile +++ b/src/ccca/GNUmakefile @@ -1,6 +1,6 @@ # # The following string is falsified data -# $Id: GNUmakefile,v 1.1 2009-01-27 00:37:33 bert Exp $ +# $Id$ # LIBRARY = libccca.a diff --git a/src/cckohn/GNUmakefile b/src/cckohn/GNUmakefile index 13713c348e..51b3f7e4ae 100644 --- a/src/cckohn/GNUmakefile +++ b/src/cckohn/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.3 2002-01-19 04:15:55 zzhang Exp $ +# $Id$ # LIBRARY = libcckohn.a diff --git a/src/cckohn/bessel/GNUmakefile b/src/cckohn/bessel/GNUmakefile index aa0153c8c2..8507a7efa3 100644 --- a/src/cckohn/bessel/GNUmakefile +++ b/src/cckohn/bessel/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.4 2003-04-08 00:21:34 windus Exp $ +# $Id$ # OBJ = gg.o outward.o sjymec.o cckohn_spline.o splinec.o ubesplg.o\ diff --git a/src/cckohn/cckohn.F b/src/cckohn/cckohn.F index 9c39d2e357..6f6c04f01a 100644 --- a/src/cckohn/cckohn.F +++ b/src/cckohn/cckohn.F @@ -1,6 +1,6 @@ logical function cckohn(rtdb) * -* $Id: cckohn.F,v 1.3 2003-10-17 22:54:20 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/cckohn/cckohn_input.F b/src/cckohn/cckohn_input.F index a3aa3cafbf..1c1e83e830 100644 --- a/src/cckohn/cckohn_input.F +++ b/src/cckohn/cckohn_input.F @@ -1,6 +1,6 @@ subroutine cckohn_input(rtdb) c -c $Id: cckohn_input.F,v 1.2 2003-10-17 22:54:20 carlfahl Exp $ +c $Id$ c c The main purpose of this subroutine is to parse the input c and place any "found" parameters into the rtdb. diff --git a/src/ccsd/GNUmakefile b/src/ccsd/GNUmakefile index 1c63a57f9b..9f5bad9be2 100644 --- a/src/ccsd/GNUmakefile +++ b/src/ccsd/GNUmakefile @@ -1,4 +1,4 @@ -# $Id: GNUmakefile,v 2.18 2008-01-26 00:46:58 d3p307 Exp $ +# $Id$ include ../config/makefile.h diff --git a/src/ccsd/NOTES b/src/ccsd/NOTES index 956dd1cdd9..bbd1d5eca5 100644 --- a/src/ccsd/NOTES +++ b/src/ccsd/NOTES @@ -26,7 +26,7 @@ o /len/ turned into ccsd_len.fh include file o /debug/ turned into ccsd_debug.fh include file o Implicit NONE in all routines o Default convergence threshold 1.0e-8 --> 1.0e-6 at suggestion of RJH -o All routines have RCS/CVS $Id: NOTES,v 2.4 1997-06-05 16:26:18 gg502 Exp $ +o All routines have RCS/CVS $Id$ o Triple transformation now uses Texas blocking [ATW] o DIIS storage compressed (using permutational symmetry) [RK] o Frozen orbitals work for energies [RK] diff --git a/src/ccsd/aoccsd2.F b/src/ccsd/aoccsd2.F index 96f81784a1..7e601d2cea 100644 --- a/src/ccsd/aoccsd2.F +++ b/src/ccsd/aoccsd2.F @@ -4,7 +4,7 @@ subroutine aoccsd(basis,ncor,nocc,nvir,ndel,nact,nbf,maxit, $ CC_Theory, rtdb, mxvec, geom, Tol2e, occd, oconverged) implicit none #include "errquit.fh" -C $Id: aoccsd2.F,v 2.36 2009-02-07 02:05:57 windus Exp $ +C $Id$ c integer basis,ncor,nocc,nvir,ndel,nact,nbf,maxit,iprt, & blen,g_objv,g_coul,g_exch,g_ncoul,g_nexch, mxvec diff --git a/src/ccsd/ccden_1pdm.F b/src/ccsd/ccden_1pdm.F index b68aaebf33..0dd2f53e8f 100644 --- a/src/ccsd/ccden_1pdm.F +++ b/src/ccsd/ccden_1pdm.F @@ -3,7 +3,7 @@ C CCDen_1PDM -- Form coupled cluster 1-particle density matrix C C REVISION -C $Id: ccden_1pdm.F,v 2.3 2003-10-17 22:54:24 carlfahl Exp $ +C $Id$ C C SYNOPSIS Subroutine CCDen_1PDM(NOcc, NVir, T1, LDT1, g_T2, diff --git a/src/ccsd/ccden_2pdma.F b/src/ccsd/ccden_2pdma.F index 8d4fd35e34..127128da31 100644 --- a/src/ccsd/ccden_2pdma.F +++ b/src/ccsd/ccden_2pdma.F @@ -3,7 +3,7 @@ C CCDen_2PDMoooo -- Form coupled cluster 2-particle density matrix C C REVISION -C $Id: ccden_2pdma.F,v 2.4 2009-02-07 02:05:58 windus Exp $ +C $Id$ C C SYNOPSIS Subroutine CCDen_2PDMoooo(NOcc, NVir, T1, LDT1, g_T2, @@ -138,7 +138,7 @@ Subroutine CCDen_2PDMoooo(NOcc, NVir, T1, LDT1, g_T2, C CCDen_tZoooo -- Form [tZ] intermediate for 2PDM C C REVISION -C $Id: ccden_2pdma.F,v 2.4 2009-02-07 02:05:58 windus Exp $ +C $Id$ C C SYNOPSIS Subroutine CCDen_tZoooo(NOcc, NVir, g_t, g_Z, g_tZ) @@ -285,7 +285,7 @@ Subroutine CCDen_tZoooo(NOcc, NVir, g_t, g_Z, g_tZ) C CCDen_tZvvvv -- Form [tZ] intermediate for 2PDM C C REVISION -C $Id: ccden_2pdma.F,v 2.4 2009-02-07 02:05:58 windus Exp $ +C $Id$ C C SYNOPSIS Subroutine CCDen_tZvvvv(NOcc, NVir, g_t, g_Z, g_tZ) diff --git a/src/ccsd/ccden_2pdmb.F b/src/ccsd/ccden_2pdmb.F index 25a91d5a8d..ccc02d81a6 100644 --- a/src/ccsd/ccden_2pdmb.F +++ b/src/ccsd/ccden_2pdmb.F @@ -3,7 +3,7 @@ C CCDen_2PDMccoo -- Form coupled cluster 2-particle density matrix C C REVISION -C $Id: ccden_2pdmb.F,v 2.3 2003-10-17 22:54:25 carlfahl Exp $ +C $Id$ C C SYNOPSIS Subroutine CCDen_2PDMvvoo(NOcc, NVir, T1, LDT1, Z1, LDZ1, diff --git a/src/ccsd/ccden_driver.F b/src/ccsd/ccden_driver.F index 3e4adc2537..1073ac76e4 100644 --- a/src/ccsd/ccden_driver.F +++ b/src/ccsd/ccden_driver.F @@ -3,7 +3,7 @@ C CCDen_Driver -- Top-level routine for coupled cluster density C C REVISION -C $Id: ccden_driver.F,v 2.4 2003-10-17 22:54:25 carlfahl Exp $ +C $Id$ C C SYNOPSIS Subroutine CCDen_Driver(NOcc, NVir, T1, LDT1, g_T2, Z1, LDZ1, diff --git a/src/ccsd/ccden_interm2.F b/src/ccsd/ccden_interm2.F index b92bdaaa66..ccdb9ed9d3 100644 --- a/src/ccsd/ccden_interm2.F +++ b/src/ccsd/ccden_interm2.F @@ -3,7 +3,7 @@ C CCDen_Interm2 -- Form two-index intermediates for density C C REVISION -C $Id: ccden_interm2.F,v 2.7 2009-02-07 02:05:58 windus Exp $ +C $Id$ C C SYNOPSIS Subroutine CCDen_Interm2(NOcc, NVir, T1, LDT1, g_T2, @@ -251,7 +251,7 @@ Subroutine CCDen_Interm2(NOcc, NVir, T1, LDT1, g_T2, C::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::: C NAME C REVISION -C $Id: ccden_interm2.F,v 2.7 2009-02-07 02:05:58 windus Exp $ +C $Id$ C SYNOPSIS Subroutine CCSD_T2_MyIJ(Node, NVir, g_T2, ILo, IHi, JLo, JHi) Implicit NONE diff --git a/src/ccsd/ccden_interm4.F b/src/ccsd/ccden_interm4.F index f05aff4910..7a7801c0aa 100644 --- a/src/ccsd/ccden_interm4.F +++ b/src/ccsd/ccden_interm4.F @@ -3,7 +3,7 @@ C ccden_interm4 -- Form four-index intermediates for density C C REVISION -C $Id: ccden_interm4.F,v 2.5 2009-02-07 02:05:58 windus Exp $ +C $Id$ C C SYNOPSIS Subroutine CCDen_Interm4(NOcc, NVir, diff --git a/src/ccsd/ccsd.F b/src/ccsd/ccsd.F index aeea82d589..f547c83e7d 100644 --- a/src/ccsd/ccsd.F +++ b/src/ccsd/ccsd.F @@ -1,7 +1,7 @@ Logical Function ccsd(rtdb) implicit none #include "errquit.fh" -C $Id: ccsd.F,v 2.14 2008-05-16 17:56:59 bert Exp $ +C $Id$ #include "mafdecls.fh" #include "global.fh" #include "bas.fh" diff --git a/src/ccsd/ccsd_aosig.F b/src/ccsd/ccsd_aosig.F index f106f02c4c..0288ac946b 100644 --- a/src/ccsd/ccsd_aosig.F +++ b/src/ccsd/ccsd_aosig.F @@ -4,7 +4,7 @@ subroutine ccsd_aosig(basis,nsh,nocc,nvir,nbf,cmo,scre,eri1,eri2, & g_tz2) implicit none #include "errquit.fh" -C $Id: ccsd_aosig.F,v 2.8 2004-09-07 06:11:18 windus Exp $ +C $Id$ integer nsh,nocc,nvir,nbf,next,icnt,basis,max2e,mem2 integer ish,jsh,ksh,lsh,ilo,ihi,jlo,jhi,klo,khi,llo,lhi integer g_ilo,g_ihi,g_jlo,g_jhi diff --git a/src/ccsd/ccsd_aux.F b/src/ccsd/ccsd_aux.F index 9ba556b472..74b64dc0b3 100644 --- a/src/ccsd/ccsd_aux.F +++ b/src/ccsd/ccsd_aux.F @@ -1,5 +1,5 @@ subroutine mxtrn(mxin,mxout,idim,jdim) -C $Id: ccsd_aux.F,v 2.4 2006-06-09 00:04:14 edo Exp $ +C $Id$ implicit none integer idim,jdim double precision mxin(idim,jdim),mxout(jdim,idim) diff --git a/src/ccsd/ccsd_data.fh b/src/ccsd/ccsd_data.fh index aa920a1479..882b7a0515 100644 --- a/src/ccsd/ccsd_data.fh +++ b/src/ccsd/ccsd_data.fh @@ -1,4 +1,4 @@ -C $Id: ccsd_data.fh,v 2.3 2007-08-24 17:29:25 d3p852 Exp $ +C $Id$ logical repeat, use_disk integer sxy_hl double precision store_avail diff --git a/src/ccsd/ccsd_debug.fh b/src/ccsd/ccsd_debug.fh index 3be52dfd6f..76ea1f5221 100644 --- a/src/ccsd/ccsd_debug.fh +++ b/src/ccsd/ccsd_debug.fh @@ -1,4 +1,4 @@ -C $Id: ccsd_debug.fh,v 2.2 1997-04-14 06:34:53 gg502 Exp $ +C $Id$ C Integer LenDbg Parameter (LenDbg = 15) diff --git a/src/ccsd/ccsd_driver.F b/src/ccsd/ccsd_driver.F index c12cf3d54b..8de7b425a5 100644 --- a/src/ccsd/ccsd_driver.F +++ b/src/ccsd/ccsd_driver.F @@ -1,6 +1,6 @@ subroutine ccsd_driver( rtdb, geom, basis, movecs_in, $ oconverged) -C $Id: ccsd_driver.F,v 2.47 2009-02-07 02:05:59 windus Exp $ +C $Id$ implicit none #include "errquit.fh" #include "mafdecls.fh" diff --git a/src/ccsd/ccsd_fsig1.F b/src/ccsd/ccsd_fsig1.F index df4a23616c..99907fc05d 100644 --- a/src/ccsd/ccsd_fsig1.F +++ b/src/ccsd/ccsd_fsig1.F @@ -1,6 +1,6 @@ subroutine ccsd_fsig1(av,bv,nocc,nvir,nbf,iprt, & t1,ht1,habe) -C $Id: ccsd_fsig1.F,v 2.3 1997-04-14 06:34:54 gg502 Exp $ +C $Id$ implicit none c integer av,bv,nocc,nvir,nbf,iprt diff --git a/src/ccsd/ccsd_fsig2.F b/src/ccsd/ccsd_fsig2.F index 9473625aa3..4e94e23a49 100644 --- a/src/ccsd/ccsd_fsig2.F +++ b/src/ccsd/ccsd_fsig2.F @@ -1,5 +1,5 @@ subroutine fsig2(nocc,nvir,bv,u,t1,ht1,hiu) -C $Id: ccsd_fsig2.F,v 2.3 1997-04-14 06:34:54 gg502 Exp $ +C $Id$ implicit none integer nocc,nvir,bv,u double precision t1(nocc,nvir), diff --git a/src/ccsd/ccsd_get_param.F b/src/ccsd/ccsd_get_param.F index 3110cb85fc..9edbb78a0f 100644 --- a/src/ccsd/ccsd_get_param.F +++ b/src/ccsd/ccsd_get_param.F @@ -1,6 +1,6 @@ subroutine ccsd_get_param(rtdb, maxit,convi,iprt, theory, $ maxdiis, tol2e, occd) -C $Id: ccsd_get_param.F,v 1.12 2004-03-19 01:03:11 bert Exp $ +C $Id$ implicit none #include "errquit.fh" #include "mafdecls.fh" diff --git a/src/ccsd/ccsd_graddrv.F b/src/ccsd/ccsd_graddrv.F index 09223cab9a..b7caebd68d 100644 --- a/src/ccsd/ccsd_graddrv.F +++ b/src/ccsd/ccsd_graddrv.F @@ -4,7 +4,7 @@ subroutine ccsd_graddrv(basis,nsh,ncor,nocc,nvir,nact,nbf, & giu,gabe,bbkp,bb,g_nt2,g_z2,g_hz2, & mxvec,eccsd,max2e,mem2, & g_ncoul,g_nexch,tklst, Tol2E) -C $Id: ccsd_graddrv.F,v 2.9 2009-02-07 02:05:59 windus Exp $ +C $Id$ implicit none #include "errquit.fh" c diff --git a/src/ccsd/ccsd_input.F b/src/ccsd/ccsd_input.F index f4247f3126..9b90e64a61 100644 --- a/src/ccsd/ccsd_input.F +++ b/src/ccsd/ccsd_input.F @@ -1,5 +1,5 @@ subroutine ccsd_input(rtdb) -C $Id: ccsd_input.F,v 2.11 2006-02-08 21:06:00 bert Exp $ +C $Id$ implicit none #include "errquit.fh" #include "inp.fh" diff --git a/src/ccsd/ccsd_iterdrv2.F b/src/ccsd/ccsd_iterdrv2.F index d2c743e5bd..92a3eb4676 100644 --- a/src/ccsd/ccsd_iterdrv2.F +++ b/src/ccsd/ccsd_iterdrv2.F @@ -5,7 +5,7 @@ subroutine ccsd_iterdrv2(rtdb,basis,nsh,ncor,nocc,nvir,nact,nbf, & mxvec,eccsd,max2e,mem2, & g_ncoul,g_nexch,tklst,offt2,nvp1, $ refener, Tol2E, occd, oconverged) -C $Id: ccsd_iterdrv2.F,v 2.27 2009-02-07 02:06:00 windus Exp $ +C $Id$ implicit none #include "errquit.fh" #include "util.fh" diff --git a/src/ccsd/ccsd_itf.F b/src/ccsd/ccsd_itf.F index 09d35e8927..6936569a99 100644 --- a/src/ccsd/ccsd_itf.F +++ b/src/ccsd/ccsd_itf.F @@ -2,7 +2,7 @@ subroutine ccsd_itf(basis,nsh,ncor,nocc,nvir,nact,nbf, & hiu,giu,habe,gabe,hia,ht1, & idiis,cmo,eorb,iprt, & g_t2,g_ht2,g_ncoul,g_nexch,tklst) -C $Id: ccsd_itf.F,v 2.7 2003-10-17 22:54:25 carlfahl Exp $ +C $Id$ implicit none #include "errquit.fh" integer basis,nsh,ncor,nocc,nvir,nact,nbf, diff --git a/src/ccsd/ccsd_itm.F b/src/ccsd/ccsd_itm.F index 9d1ca755b5..ba00233843 100644 --- a/src/ccsd/ccsd_itm.F +++ b/src/ccsd/ccsd_itm.F @@ -7,7 +7,7 @@ subroutine ccsd_itm(nocc,nvir,nact,hiu,giu,habe,gabe, & scra,scrb,scrc,scrd,scre,scrf, & g_nt2,g_nht2,g_ncoul,g_nexch,g_x,g_c,g_sht2, & iprt) -C $Id: ccsd_itm.F,v 2.13 2004/12/16 02:40:47 edo Exp $ +C $Id$ implicit none #include "errquit.fh" integer nocc,nvir,nact,g_nt2,g_nht2,g_ncoul,g_nexch, diff --git a/src/ccsd/ccsd_len.fh b/src/ccsd/ccsd_len.fh index 2ff731668b..f9f66e44b0 100644 --- a/src/ccsd/ccsd_len.fh +++ b/src/ccsd/ccsd_len.fh @@ -1,3 +1,3 @@ -C $Id: ccsd_len.fh,v 2.2 1997-04-14 06:34:57 gg502 Exp $ +C $Id$ integer lnoo,lnov,lnvv,lnoov,lnooo,lnobj,lnovv common/len/lnoo,lnov,lnvv,lnoov,lnooo,lnobj,lnovv diff --git a/src/ccsd/ccsd_mem.F b/src/ccsd/ccsd_mem.F index 6f4be1cb7f..8a0c0fe64d 100644 --- a/src/ccsd/ccsd_mem.F +++ b/src/ccsd/ccsd_mem.F @@ -3,7 +3,7 @@ c logical function ccsd_memory_fit( basis, algo, $ nbf, nocc, nvir, blen, mxvec, do_trip) -C$Id: ccsd_mem.F,v 2.2 2004-01-06 18:54:41 bert Exp $ +C$Id$ implicit none #include "errquit.fh" #include "mafdecls.fh" diff --git a/src/ccsd/ccsd_mkt2.F b/src/ccsd/ccsd_mkt2.F index f6f8bb023d..b1375ce764 100644 --- a/src/ccsd/ccsd_mkt2.F +++ b/src/ccsd/ccsd_mkt2.F @@ -1,6 +1,6 @@ subroutine ccsd_mkt2(ncor,nocc,nvir,nact,eorb, $ t2,scra,g_nexch,g_t2,iprt) -C $Id: ccsd_mkt2.F,v 2.5 1997-10-18 20:14:35 d3g681 Exp $ +C $Id$ implicit none integer ncor,nocc,nvir,nact,iprt,g_t2,g_nexch double precision eorb(*),t2(*),scra(*) diff --git a/src/ccsd/ccsd_mktask.F b/src/ccsd/ccsd_mktask.F index dcdc559785..de96a73800 100644 --- a/src/ccsd/ccsd_mktask.F +++ b/src/ccsd/ccsd_mktask.F @@ -1,5 +1,5 @@ subroutine ccsd_mktask(basis,nsh,tklst) -C $Id: ccsd_mktask.F,v 2.5 2003-10-17 22:54:25 carlfahl Exp $ +C $Id$ implicit none #include "errquit.fh" integer basis,nsh,tklst(nsh*(nsh+1)/2,2) diff --git a/src/ccsd/ccsd_mktau.f b/src/ccsd/ccsd_mktau.f index fc9d7fcdee..c5eafed454 100644 --- a/src/ccsd/ccsd_mktau.f +++ b/src/ccsd/ccsd_mktau.f @@ -1,5 +1,5 @@ subroutine ccsd_mktau(nocc,nvir,av,t1,t2,tau) -C $Id: ccsd_mktau.f,v 2.2 1997-04-14 06:34:58 gg502 Exp $ +C $Id$ implicit none integer nocc,nvir,av double precision t1(*),t2(*),tau(*) diff --git a/src/ccsd/ccsd_mktau_ga.F b/src/ccsd/ccsd_mktau_ga.F index 00d71f57a8..634b0abc15 100644 --- a/src/ccsd/ccsd_mktau_ga.F +++ b/src/ccsd/ccsd_mktau_ga.F @@ -3,7 +3,7 @@ C CCSD_MkTau_GA -- Form Tau = T2 + T1T1 in a GA C C REVISION -C $Id: ccsd_mktau_ga.F,v 2.4 2003-10-17 22:54:25 carlfahl Exp $ +C $Id$ C C SYNOPSIS Subroutine CCSD_MkTau_GA(NOcc, NVir, T1, LDT1, g_T2, g_Tau) diff --git a/src/ccsd/ccsd_pampt2.F b/src/ccsd/ccsd_pampt2.F index c951fd3565..846b3f39b7 100644 --- a/src/ccsd/ccsd_pampt2.F +++ b/src/ccsd/ccsd_pampt2.F @@ -4,7 +4,7 @@ subroutine ccsd_pampt2(basis,idiis,nsh,ncor,nocc,nvir,nact,nbf, $ g_t2,g_ht2,g_nt2,g_nht2, $ eccsd,g_ncoul,g_nexch, & tklst, Tol2E, occd) -C $Id: ccsd_pampt2.F,v 2.13 2004-12-16 02:40:47 edo Exp $ +C $Id$ implicit none integer basis,idiis,nsh,ncor,nocc,nvir,nact,nbf,iprt, & g_t2,g_ht2,g_ncoul,g_nexch,g_nt2,g_nht2, diff --git a/src/ccsd/ccsd_pampt3.F b/src/ccsd/ccsd_pampt3.F index 8c37e4237b..4b56628546 100644 --- a/src/ccsd/ccsd_pampt3.F +++ b/src/ccsd/ccsd_pampt3.F @@ -2,7 +2,7 @@ subroutine ccsd_pampt3(basis,nsh,ncor,nocc,nvir,nact,nbf, & tol2e,cmo,eorb,iprt,hiu,giu,habe,gabe, & hia,t1,ht1,idiis,g_nt2,g_nht2, & g_ncoul,g_nexch,tklst) -C $Id: ccsd_pampt3.F,v 2.16 2006-11-03 14:36:10 edo Exp $ +C $Id$ implicit none #include "errquit.fh" integer basis,nsh,ncor,nocc,nvir,nact,nbf, diff --git a/src/ccsd/ccsd_pdiis.F b/src/ccsd/ccsd_pdiis.F index a3d30308cc..9bc2a6acc7 100644 --- a/src/ccsd/ccsd_pdiis.F +++ b/src/ccsd/ccsd_pdiis.F @@ -4,7 +4,7 @@ subroutine ccsd_pdiis(nocc,nvir,idiis,ndiis,t1,ht1,scra, c c -- on input t1a contains t1: t1b contains error vector implicit none -C $Id: ccsd_pdiis.F,v 2.10 2004-12-16 23:02:58 edo Exp $ +C $Id$ c #include "ccsd_len.fh" integer lhoo,lhoov diff --git a/src/ccsd/ccsd_pstat.F b/src/ccsd/ccsd_pstat.F index c380bc8087..cd3747673a 100644 --- a/src/ccsd/ccsd_pstat.F +++ b/src/ccsd/ccsd_pstat.F @@ -1,5 +1,5 @@ subroutine ccsd_pstat_init(rtdb) -c $Id: ccsd_pstat.F,v 2.4 2006-02-08 21:06:00 bert Exp $ +c $Id$ implicit none #include "pstat.fh" #include "ccsdps.fh" diff --git a/src/ccsd/ccsd_pzamp.F b/src/ccsd/ccsd_pzamp.F index a8bcb081aa..85376086bb 100644 --- a/src/ccsd/ccsd_pzamp.F +++ b/src/ccsd/ccsd_pzamp.F @@ -4,7 +4,7 @@ subroutine ccsd_pzamp(basis,nsh,ncor,nocc,nvir,nact,nbf, & g_nhz2,g_ncoul,g_nexch,tklst) implicit none #include "errquit.fh" -C $Id: ccsd_pzamp.F,v 2.7 2003-10-17 22:54:25 carlfahl Exp $ +C $Id$ integer basis,nsh,ncor,nocc,nvir,nact,nbf, & iprt,idiis,g_nt2,g_nz2,g_nhz2,g_aitm, & g_ncoul,g_nexch,tklst(nsh*(nsh+1)/2,2) diff --git a/src/ccsd/ccsd_rdtrpo.F b/src/ccsd/ccsd_rdtrpo.F index 94eaf456be..0ab07eaade 100644 --- a/src/ccsd/ccsd_rdtrpo.F +++ b/src/ccsd/ccsd_rdtrpo.F @@ -1,6 +1,6 @@ subroutine ccsd_rdtrpo(t1,buf1,buf2,g_objo,g_objv, $ nocc,nvir,iprt) -C $Id: ccsd_rdtrpo.F,v 2.8 2003-10-17 22:54:25 carlfahl Exp $ +C $Id$ implicit none #include "errquit.fh" c diff --git a/src/ccsd/ccsd_sortmo.F b/src/ccsd/ccsd_sortmo.F index a17cfc099d..c56a45b7af 100644 --- a/src/ccsd/ccsd_sortmo.F +++ b/src/ccsd/ccsd_sortmo.F @@ -1,7 +1,7 @@ subroutine ccsd_sortmo(ncor,nocc,nvir,nact,nbf,scra,scrb, $ g_coul,g_exch,g_ncoul,g_nexch, $ iprt) -C $Id: ccsd_sortmo.F,v 2.8 1997-11-14 19:25:45 d3g681 Exp $ +C $Id$ implicit none integer ncor,nocc,nvir,nact,nbf,g_coul,g_exch, $ g_ncoul,g_nexch,iprt diff --git a/src/ccsd/ccsd_t2pm.F b/src/ccsd/ccsd_t2pm.F index 2f674ea168..0673089545 100644 --- a/src/ccsd/ccsd_t2pm.F +++ b/src/ccsd/ccsd_t2pm.F @@ -1,6 +1,6 @@ subroutine ccsd_ht2pm(basis,nsh,ncor,nocc,nvir,nact,nbf,g_sht2, & g_nht2,cmo,scra,scrb,offsh) -C $Id: ccsd_t2pm.F,v 2.20 2006/07/13 23:33:21 bert Exp $ +C $Id$ implicit none #include "errquit.fh" integer basis,nsh,ncor,nocc,nvir,nact,nbf,g_sht2,g_nht2, diff --git a/src/ccsd/ccsd_tengy.F b/src/ccsd/ccsd_tengy.F index 8eadf5abe0..6cbd7aa9ba 100644 --- a/src/ccsd/ccsd_tengy.F +++ b/src/ccsd/ccsd_tengy.F @@ -1,7 +1,7 @@ subroutine ccsd_tengy(f1n,f1t,f2n,f2t,f3n,f3t,f4n,f4t, & dintc,dintx,t1v,eorb,eaijk, $ emp4,emp5,ncor,nocc,nvir) -C $Id: ccsd_tengy.F,v 2.1 2004-12-16 23:02:58 edo Exp $ +C $Id$ implicit none #include "ccsdps.fh" integer ncor,nocc,nvir diff --git a/src/ccsd/ccsd_time.fh b/src/ccsd/ccsd_time.fh index 57858a7a56..142371c846 100644 --- a/src/ccsd/ccsd_time.fh +++ b/src/ccsd/ccsd_time.fh @@ -1,5 +1,5 @@ * -* $Id: ccsd_time.fh,v 2.2 1997-11-07 11:37:04 d3e129 Exp $ +* $Id$ * double precision main_block_time common /c_mn_blk_tm/main_block_time diff --git a/src/ccsd/ccsd_trpdrv.F b/src/ccsd/ccsd_trpdrv.F index 6d4513a304..6e53093a8f 100644 --- a/src/ccsd/ccsd_trpdrv.F +++ b/src/ccsd/ccsd_trpdrv.F @@ -5,7 +5,7 @@ subroutine ccsd_trpdrv(t1, & oseg_lo,oseg_hi, $ kchunk, Tij, Tkj, Tia, Tka, Xia, Xka, Jia, Jka, Kia, Kka, $ Jij, Jkj, Kij, Kkj, Dja, Djka, Djia) -C $Id: ccsd_trpdrv.F,v 2.10 2004-12-16 23:02:58 edo Exp $ +C $Id$ implicit none c #include "global.fh" diff --git a/src/ccsd/ccsd_trpdrv_bgp.F b/src/ccsd/ccsd_trpdrv_bgp.F index 68e0033543..28df90a747 100644 --- a/src/ccsd/ccsd_trpdrv_bgp.F +++ b/src/ccsd/ccsd_trpdrv_bgp.F @@ -5,7 +5,7 @@ subroutine ccsd_trpdrv_bgp(t1, & oseg_lo,oseg_hi, & kchunk, Tij, Tkj, Tia, Tka, Xia, Xka, Jia, Jka, Kia, Kka, & Jij, Jkj, Kij, Kkj, Dja, Djka, Djia) -C $Id: ccsd_trpdrv.F,v 2.10 2004-12-16 23:02:58 edo Exp $ +C $Id$ implicit none c #include "global.fh" diff --git a/src/ccsd/ccsd_trpdrv_bgp2.F b/src/ccsd/ccsd_trpdrv_bgp2.F index 5aa91fe062..77e1c09a11 100644 --- a/src/ccsd/ccsd_trpdrv_bgp2.F +++ b/src/ccsd/ccsd_trpdrv_bgp2.F @@ -5,7 +5,7 @@ subroutine ccsd_trpdrv_bgp2(t1, & oseg_lo,oseg_hi, $ kchunk, Tij, Tkj, Tia, Tka, Xia, Xka, Jia, Jka, Kia, Kka, $ Jij, Jkj, Kij, Kkj, Dja, Djka, Djia) -C $Id: ccsd_trpdrv.F,v 2.10 2004-12-16 23:02:58 edo Exp $ +C $Id$ implicit none c #include "global.fh" diff --git a/src/ccsd/ccsd_trpdrv_nb.F b/src/ccsd/ccsd_trpdrv_nb.F index 446d95d974..aa3ce2aa19 100644 --- a/src/ccsd/ccsd_trpdrv_nb.F +++ b/src/ccsd/ccsd_trpdrv_nb.F @@ -6,7 +6,7 @@ subroutine ccsd_trpdrv_nb(t1, $ kchunk, Tij, Tkj, Tia, Tka, Xia, Xka, Jia, Jka, Kia, Kka, $ Jij, Jkj, Kij, Kkj, Dja, Djka, Djia) c -C $Id: ccsd_trpdrv_nb.F,v 2.10 2004-12-16 23:02:58 edo Exp $ +C $Id$ c c CCSD(T) non-blocking modifications written by c Jeff Hammond, Argonne Leadership Computing Facility diff --git a/src/ccsd/ccsd_trpmo.F b/src/ccsd/ccsd_trpmo.F index c00f1513ba..a6ee9cf8a5 100644 --- a/src/ccsd/ccsd_trpmo.F +++ b/src/ccsd/ccsd_trpmo.F @@ -2,7 +2,7 @@ subroutine ccsd_trpmo(ncor,nocc,nvir,nact,nbf,scr,scra,t1,g_nt2, $ g_objv,g_ncoul,g_nexch, $ iprt) implicit none -C $Id: ccsd_trpmo.F,v 2.3 2000/10/23 23:37:45 windus Exp $ +C $Id$ integer ncor,nocc,nvir,nact,nbf,g_objv,g_nt2, $ g_ncoul,g_nexch,iprt double precision scr(*),scra(*),t1(*) diff --git a/src/ccsd/ccsd_tzinta.F b/src/ccsd/ccsd_tzinta.F index e14c7930e0..8c543bff41 100644 --- a/src/ccsd/ccsd_tzinta.F +++ b/src/ccsd/ccsd_tzinta.F @@ -1,6 +1,6 @@ subroutine ccsd_tzinta(nocc,nvir,nbf,t1,tzvv,scra,scrb,scrc,g_nt2, & g_nz2,g_tz1,g_tz2,iprt) -C $Id: ccsd_tzinta.F,v 2.4 2003-10-17 22:54:25 carlfahl Exp $ +C $Id$ implicit none #include "errquit.fh" integer nocc,nvir,nbf,lnov,lnvv,g_nt2,g_nz2,g_tz1,g_tz2, diff --git a/src/ccsd/ccsd_tzintb.F b/src/ccsd/ccsd_tzintb.F index 11289b1d51..bf5b532aeb 100644 --- a/src/ccsd/ccsd_tzintb.F +++ b/src/ccsd/ccsd_tzintb.F @@ -1,7 +1,7 @@ subroutine ccsd_tzintb(nocc,nvir,nbf,t1,tzoo,scra,scrb,scrc, & g_nt2,g_nz2,g_ncoul,g_nexch,g_c,g_x, & g_sht2,g_aitm,g_qitm,g_tz3,iprt) -* $Id: ccsd_tzintb.F,v 2.6 2003-10-17 22:54:25 carlfahl Exp $ +* $Id$ implicit none #include "errquit.fh" integer nocc,nvir,nbf,lnoo,lnov,lnvv,g_nt2,g_nz2,g_ncoul,g_nexch, diff --git a/src/ccsd/ccsd_z2pm.F b/src/ccsd/ccsd_z2pm.F index e599750d4a..d242f9417a 100644 --- a/src/ccsd/ccsd_z2pm.F +++ b/src/ccsd/ccsd_z2pm.F @@ -1,6 +1,6 @@ subroutine ccsd_z2pm(basis,nsh,ncor,nocc,nvir,nbf,g_sz2,g_nz2,cmo, & scra,scrb) -C $Id: ccsd_z2pm.F,v 2.8 2004-12-16 23:02:58 edo Exp $ +C $Id$ implicit none #include "errquit.fh" integer basis,nsh,ncor,nocc,nvir,nbf,g_sz2,g_nz2 diff --git a/src/ccsd/ccsd_zitf.F b/src/ccsd/ccsd_zitf.F index 835e04bde6..a3038b0d9b 100644 --- a/src/ccsd/ccsd_zitf.F +++ b/src/ccsd/ccsd_zitf.F @@ -2,7 +2,7 @@ subroutine ccsd_zitf(basis,nsh,ncor,nocc,nvir,nact,nbf, & t1,z1,hiu,giu,habe,gabe,hia,hz1, & idiis,cmo,eorb,iprt, & g_t2,g_z2,g_hz2,g_ncoul,g_nexch,tklst) -C $Id: ccsd_zitf.F,v 2.4 2003-10-17 22:54:25 carlfahl Exp $ +C $Id$ implicit none #include "errquit.fh" integer basis,nsh,ncor,nocc,nvir,nact,nbf, diff --git a/src/ccsd/ccsd_zsig1.F b/src/ccsd/ccsd_zsig1.F index 601f24f5ef..18aea9e1f7 100644 --- a/src/ccsd/ccsd_zsig1.F +++ b/src/ccsd/ccsd_zsig1.F @@ -4,7 +4,7 @@ subroutine ccsd_zsig1(nocc,nvir,nbf,hiu,giu,habe,gabe,hia,t1,hz1, & g_nt2,g_nz2,g_ncoul,g_nexch,g_x,g_c, & g_sht2,g_zx,g_zc,g_shz2,g_aitm,g_qitm, & g_tz1,g_tz2,g_tz3,iprt) -* $Id: ccsd_zsig1.F,v 2.6 2003-10-17 22:54:25 carlfahl Exp $ +* $Id$ implicit none #include "errquit.fh" integer nocc,nvir,nbf,g_nt2,g_nz2,g_ncoul,g_nexch,g_x,g_c,g_sht2, diff --git a/src/ccsd/ccsd_zsig2.F b/src/ccsd/ccsd_zsig2.F index d716ced93e..e56d600844 100644 --- a/src/ccsd/ccsd_zsig2.F +++ b/src/ccsd/ccsd_zsig2.F @@ -4,7 +4,7 @@ subroutine ccsd_zsig2(nocc,nvir,nbf,hiu,giu,habe,gabe,hia,t1, & g_nt2,g_nz2,g_nhz2,g_ncoul,g_nexch,g_x,g_c, & g_sht2,g_zx,g_zc,g_aitm,g_qitm,g_tz3, & iprt) -C $Id: ccsd_zsig2.F,v 2.9 2004-09-07 06:11:18 windus Exp $ +C $Id$ implicit none #include "errquit.fh" integer nocc,nvir,nbf,g_nt2,g_nz2,g_nhz2,g_ncoul,g_nexch,g_x,g_c, diff --git a/src/ccsd/ccsd_zvecs.F b/src/ccsd/ccsd_zvecs.F index 80632439e6..a225b364e2 100644 --- a/src/ccsd/ccsd_zvecs.F +++ b/src/ccsd/ccsd_zvecs.F @@ -3,7 +3,7 @@ subroutine ccsd_zvecs(basis,idiis,nsh,ncor,nocc,nvir,nact,nbf, $ scra,scrb,z1,hiu,hia,habe,giu,gabe, $ g_nt2,g_z2,g_hz2,g_nz2,g_nhz2, $ g_ncoul,g_nexch,tklst, Tol2E) -C $Id: ccsd_zvecs.F,v 2.9 2009-02-07 02:06:00 windus Exp $ +C $Id$ implicit none integer basis,idiis,nsh,ncor,nocc,nvir,nact,nbf,iprt, & g_nt2,g_z2,g_hz2,g_nz2,g_nhz2,g_ncoul,g_nexch, diff --git a/src/ccsd/ccsdps.fh b/src/ccsd/ccsdps.fh index 58fc8aae88..7d63ce819d 100644 --- a/src/ccsd/ccsdps.fh +++ b/src/ccsd/ccsdps.fh @@ -1,4 +1,4 @@ -c $Id: ccsdps.fh,v 2.3 2006-02-08 21:06:00 bert Exp $ +c $Id$ c c pstat handles for the CCSD code c diff --git a/src/ccsd/cputime.F b/src/ccsd/cputime.F index 022280f35f..3a721256b3 100644 --- a/src/ccsd/cputime.F +++ b/src/ccsd/cputime.F @@ -1,6 +1,6 @@ subroutine cputime(time) Implicit NONE -C $Id: cputime.F,v 2.2 1997-06-05 17:39:31 gg502 Exp $ +C $Id$ real*8 time #include "tcgmsg.fh" c - convex diff --git a/src/ccsd/geaxpy.f b/src/ccsd/geaxpy.f index 5b53936754..13c02714c4 100644 --- a/src/ccsd/geaxpy.f +++ b/src/ccsd/geaxpy.f @@ -3,7 +3,7 @@ C GEAXPY -- Matrix Y <-- a*X + Y C C REVISION -C $Id: geaxpy.f,v 2.2 1997-04-17 05:57:55 d3e129 Exp $ +C $Id$ C C SYNOPSIS Subroutine GEAXPY(M, N, Alpha, X, LDX, Y, LDY) diff --git a/src/ccsd/moints_trp.F b/src/ccsd/moints_trp.F index 9df0c6bbf4..62b378d05c 100644 --- a/src/ccsd/moints_trp.F +++ b/src/ccsd/moints_trp.F @@ -33,7 +33,7 @@ integer function moints_trp_mem(basis, nmo1, blen) end -c $Id: moints_trp.F,v 2.18 2005/01/14 22:08:49 edo Exp $ +c $Id$ c c c No-one knows what this stuff is doing ... are the next comments correct? diff --git a/src/ccsd/qdata.fh b/src/ccsd/qdata.fh index a113769cb6..5694dac999 100644 --- a/src/ccsd/qdata.fh +++ b/src/ccsd/qdata.fh @@ -1,4 +1,4 @@ -C $Id: qdata.fh,v 2.3 1997-04-14 06:35:08 gg502 Exp $ +C $Id$ Integer MxROut, MxLev parameter (mxrout=100, mxlev=20) C diff --git a/src/ccsd/qstat.F b/src/ccsd/qstat.F index 4c09135ff4..d6f3ed957c 100644 --- a/src/ccsd/qstat.F +++ b/src/ccsd/qstat.F @@ -1,5 +1,5 @@ subroutine qenter(namein,iprint) -C $Id: qstat.F,v 2.9 2009-02-07 02:06:00 windus Exp $ +C $Id$ Implicit NONE #include "errquit.fh" Character*(*) NameIn diff --git a/src/ccsd/rddcom.F b/src/ccsd/rddcom.F index 4696afcec1..09e5ac0f6b 100644 --- a/src/ccsd/rddcom.F +++ b/src/ccsd/rddcom.F @@ -1,5 +1,5 @@ subroutine rddcom() -C $Id: rddcom.F,v 2.4 1997-04-14 06:35:08 gg502 Exp $ +C $Id$ Implicit NONE C Integer I diff --git a/src/chelp/GNUmakefile b/src/chelp/GNUmakefile index 0984cefbd8..b00482db39 100644 --- a/src/chelp/GNUmakefile +++ b/src/chelp/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.10 2004-05-06 21:11:50 edo Exp $ +# $Id$ # OBJ_OPTIMIZE = task_chelp.o diff --git a/src/chelp/grid/GNUmakefile b/src/chelp/grid/GNUmakefile index 31da53c61b..fe15c94b06 100644 --- a/src/chelp/grid/GNUmakefile +++ b/src/chelp/grid/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.10 2004-05-06 21:11:50 edo Exp $ +# $Id$ # OBJ_OPTIMIZE = chelp_grid.o\ diff --git a/src/chelp/grid/chelp_grid_data.fh b/src/chelp/grid/chelp_grid_data.fh index 1b74e835a5..73ec2f0cab 100644 --- a/src/chelp/grid/chelp_grid_data.fh +++ b/src/chelp/grid/chelp_grid_data.fh @@ -1,5 +1,5 @@ c -c $Id: qmmm_geom_data.fh,v 1.3 2005-06-15 05:39:00 marat Exp $ +c $Id$ c c grid array size integer nrchelp diff --git a/src/config/32_to_64 b/src/config/32_to_64 index 77b16d7bbb..7fb756209e 100755 --- a/src/config/32_to_64 +++ b/src/config/32_to_64 @@ -1,6 +1,6 @@ #!/bin/csh -f # -# $Id: 32_to_64,v 1.1 2005-10-20 01:04:24 edo Exp $ +# $Id$ # @ useperl = 1 diff --git a/src/config/32_to_64.pl b/src/config/32_to_64.pl index 753dddaf95..4f68b872a3 100644 --- a/src/config/32_to_64.pl +++ b/src/config/32_to_64.pl @@ -1,5 +1,5 @@ # -# $Id: 32_to_64.pl,v 1.2 2005-11-02 19:09:13 edo Exp $ +# $Id$ # # # perl script to do transliteration from "single" values to "double" values diff --git a/src/config/64_to_32 b/src/config/64_to_32 index ac6f869e4e..9f32ef46b2 100755 --- a/src/config/64_to_32 +++ b/src/config/64_to_32 @@ -1,6 +1,6 @@ #!/bin/csh -f # -# $Id: 64_to_32,v 1.1 2005-10-20 01:04:24 edo Exp $ +# $Id$ # # # modified to use the perl version to change back to the sed scripts diff --git a/src/config/64_to_32.pl b/src/config/64_to_32.pl index 2ad6505cbf..741ca9eff7 100644 --- a/src/config/64_to_32.pl +++ b/src/config/64_to_32.pl @@ -1,5 +1,5 @@ # -# $Id: 64_to_32.pl,v 1.2 2005-11-02 19:09:12 edo Exp $ +# $Id$ # # # diff --git a/src/config/GNUmakefile b/src/config/GNUmakefile index b7c19d31b2..1ca1de5570 100644 --- a/src/config/GNUmakefile +++ b/src/config/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.15 2008-06-20 20:19:30 d3p307 Exp $ +# $Id$ # include makefile.h diff --git a/src/config/HOW_TO_ADD_A_MODULE b/src/config/HOW_TO_ADD_A_MODULE index a3c1fd841f..788f48d3d2 100644 --- a/src/config/HOW_TO_ADD_A_MODULE +++ b/src/config/HOW_TO_ADD_A_MODULE @@ -1,4 +1,4 @@ -# $Id: HOW_TO_ADD_A_MODULE,v 1.6 1999-07-29 00:56:04 d3e129 Exp $ +# $Id$ How to add a module to NWChem ----------------------------- diff --git a/src/config/HOW_TO_CONFIGURE b/src/config/HOW_TO_CONFIGURE index 83683bfeab..8f7a8265d1 100644 --- a/src/config/HOW_TO_CONFIGURE +++ b/src/config/HOW_TO_CONFIGURE @@ -1,4 +1,4 @@ -# $Id: HOW_TO_CONFIGURE,v 1.7 1999-07-29 00:56:04 d3e129 Exp $ +# $Id$ EXAMPLE: To configure for dft geometry optimization only, from the directory .../nwchem/src use the command: make nwchem_config NWCHEM_MODULES='stepper dftgrad gradients' diff --git a/src/config/NTmakefile.h b/src/config/NTmakefile.h index 0e013bcbc8..a42d38a7c1 100644 --- a/src/config/NTmakefile.h +++ b/src/config/NTmakefile.h @@ -5,7 +5,7 @@ ############################################################################## # -# $Id: NTmakefile.h,v 1.12 2004-08-31 16:45:21 edo Exp $ +# $Id$ # # diff --git a/src/config/NTmakelib.h b/src/config/NTmakelib.h index b721e91954..0bd1e10f3c 100644 --- a/src/config/NTmakelib.h +++ b/src/config/NTmakelib.h @@ -1,5 +1,5 @@ # -# $Id: NTmakelib.h,v 1.8 2000-11-25 15:34:51 bjohnson Exp $ +# $Id$ # LIBRARY_PATH = $(LIB_DISTRIB)\$(LIBRARY) diff --git a/src/config/census.skeleton b/src/config/census.skeleton index 4ad5a1cecb..cfef3a9322 100644 --- a/src/config/census.skeleton +++ b/src/config/census.skeleton @@ -1,5 +1,5 @@ Subroutine Module_Census -* $Id: census.skeleton,v 1.2 1999-07-29 00:56:04 d3e129 Exp $ +* $Id$ C C Eventually this routine should print out a list of modules or C tasks or something which are incorporated into the present diff --git a/src/config/da_rec_size.f b/src/config/da_rec_size.f index cbfe026a8b..7368827bbb 100644 --- a/src/config/da_rec_size.f +++ b/src/config/da_rec_size.f @@ -4,7 +4,7 @@ c 'da_rec_size.test' (in bytes) using 'ls' and divide by 1024 units. C Program da_rec_size -C$Id: da_rec_size.f,v 1.3 1995-07-17 01:03:33 gg502 Exp $ +C$Id$ Integer RecLen Parameter (RecLen = 512) Integer A(1) diff --git a/src/config/data.64_to_32 b/src/config/data.64_to_32 index ca12aa59e8..f5cf388616 100644 --- a/src/config/data.64_to_32 +++ b/src/config/data.64_to_32 @@ -1,5 +1,5 @@ # -# $Id: data.64_to_32,v 1.4 2005-11-02 19:09:13 edo Exp $ +# $Id$ # # # this file contains the transliterations for both the diff --git a/src/config/data.dbl2sngl b/src/config/data.dbl2sngl index b2ac7bceed..cde8b0326d 100644 --- a/src/config/data.dbl2sngl +++ b/src/config/data.dbl2sngl @@ -1,5 +1,5 @@ # -# $Id: data.dbl2sngl,v 1.5 2005-10-19 21:47:49 edo Exp $ +# $Id$ # # # this file contains the transliterations for both the diff --git a/src/config/dbl2sngl.pl b/src/config/dbl2sngl.pl index 8bda010ee3..5df4c6459c 100644 --- a/src/config/dbl2sngl.pl +++ b/src/config/dbl2sngl.pl @@ -1,5 +1,5 @@ # -# $Id: dbl2sngl.pl,v 1.3 1997-04-18 08:52:21 d3e129 Exp $ +# $Id$ # # # diff --git a/src/config/dbl_to_sngl b/src/config/dbl_to_sngl index 3ac77fc7be..9154cbda32 100755 --- a/src/config/dbl_to_sngl +++ b/src/config/dbl_to_sngl @@ -1,6 +1,6 @@ #!/bin/csh -f # -# $Id: dbl_to_sngl,v 1.11 1998-09-16 09:15:18 d3e129 Exp $ +# $Id$ # # # modified to use the perl version to change back to the sed scripts diff --git a/src/config/dbl_to_sngl.2.sed b/src/config/dbl_to_sngl.2.sed index 8cfd663781..a588d544b5 100644 --- a/src/config/dbl_to_sngl.2.sed +++ b/src/config/dbl_to_sngl.2.sed @@ -1,5 +1,5 @@ # -# $Id: dbl_to_sngl.2.sed,v 1.9 2004-05-14 19:03:43 edo Exp $ +# $Id$ # # This script performs blas keyword substitutions using the sed editor. # It is divided into four separate sed commands because of buffer overflow diff --git a/src/config/dbl_to_sngl.sed b/src/config/dbl_to_sngl.sed index c493df24f4..e4c20642e9 100644 --- a/src/config/dbl_to_sngl.sed +++ b/src/config/dbl_to_sngl.sed @@ -1,5 +1,5 @@ # -# $Id: dbl_to_sngl.sed,v 1.12 2004-05-14 19:03:43 edo Exp $ +# $Id$ # # This script performs blas keyword substitutions using the sed editor. # It is divided into four separate sed commands because of buffer overflow diff --git a/src/config/depend.c b/src/config/depend.c index ff345f7037..92c2e562ae 100644 --- a/src/config/depend.c +++ b/src/config/depend.c @@ -1,5 +1,5 @@ /* - $Id: depend.c,v 1.6 2003-10-21 00:39:03 edo Exp $ + $Id$ */ #include diff --git a/src/config/find_useblas b/src/config/find_useblas index 9ebac2ba4f..49ecf3c9d6 100755 --- a/src/config/find_useblas +++ b/src/config/find_useblas @@ -3,7 +3,7 @@ # finds files in tree that have converted blas calls # # -# $Id: find_useblas,v 1.3 1997-11-07 11:37:45 d3e129 Exp $ +# $Id$ # diff --git a/src/config/has_blas b/src/config/has_blas index c26134b09a..9a105ab1c1 100755 --- a/src/config/has_blas +++ b/src/config/has_blas @@ -1,6 +1,6 @@ #!/bin/csh # -# $Id: has_blas,v 1.5 1997-03-17 21:00:52 d3e129 Exp $ +# $Id$ # # # confirms file(s) that have blas/lapack calls now using the perl scripts diff --git a/src/config/has_dblas b/src/config/has_dblas index f7f7f5d8f1..a409f0fadc 100755 --- a/src/config/has_dblas +++ b/src/config/has_dblas @@ -1,6 +1,6 @@ #!/bin/csh # -# $Id: has_dblas,v 1.3 1997-03-17 21:00:54 d3e129 Exp $ +# $Id$ # # # confirms file(s) that have blas/lapack calls now using the perl scripts diff --git a/src/config/has_sblas b/src/config/has_sblas index a5749ade4e..87dffa0ec4 100755 --- a/src/config/has_sblas +++ b/src/config/has_sblas @@ -1,6 +1,6 @@ #!/bin/csh # -# $Id: has_sblas,v 1.3 1997-03-17 21:00:56 d3e129 Exp $ +# $Id$ # # # confirms file(s) that have blas/lapack calls now using the perl scripts diff --git a/src/config/hasblas.pl b/src/config/hasblas.pl index ba1e49987e..691c007746 100644 --- a/src/config/hasblas.pl +++ b/src/config/hasblas.pl @@ -1,5 +1,5 @@ # -# $Id: hasblas.pl,v 1.3 1999-05-20 21:05:33 d3e129 Exp $ +# $Id$ # # perl script searches for both "double" and "single" values of the # blas and lapack routines reporting only those files that have a diff --git a/src/config/hasdblas.pl b/src/config/hasdblas.pl index ddf906fa2c..9dbd280fc7 100644 --- a/src/config/hasdblas.pl +++ b/src/config/hasdblas.pl @@ -1,5 +1,5 @@ # -# $Id: hasdblas.pl,v 1.3 1999-05-20 21:05:33 d3e129 Exp $ +# $Id$ # # perl script searches for "double" values of the # blas and lapack routines reporting only those that have a recognized diff --git a/src/config/hassblas.pl b/src/config/hassblas.pl index d4581bee28..9498aee34a 100644 --- a/src/config/hassblas.pl +++ b/src/config/hassblas.pl @@ -1,5 +1,5 @@ # -# $Id: hassblas.pl,v 1.3 1999-05-20 21:05:33 d3e129 Exp $ +# $Id$ # # perl script searches for "single" values of the # blas and lapack routines reporting only those that have a recognized diff --git a/src/config/lockfile b/src/config/lockfile index ae89c97c84..225d4ff74f 100755 --- a/src/config/lockfile +++ b/src/config/lockfile @@ -1,7 +1,7 @@ #!/bin/sh # -# $Id: lockfile,v 1.5 1999-11-13 02:14:29 bjohnson Exp $ +# $Id$ # # diff --git a/src/config/make_nwchem_config b/src/config/make_nwchem_config index 8b03e979f6..3b7e6828c8 100644 --- a/src/config/make_nwchem_config +++ b/src/config/make_nwchem_config @@ -9,7 +9,7 @@ # NWCHEM_TOP " # NWCHEM_TARGET " # -# $Id: make_nwchem_config,v 1.255 2009-01-27 00:38:54 bert Exp $ +# $Id$ #----------------------------------------------------------------------------- # These are the directories required to build the various high-level # computational modules for NWChem. They are built after the core diff --git a/src/config/makefile.h b/src/config/makefile.h index 172d000003..0b00100613 100644 --- a/src/config/makefile.h +++ b/src/config/makefile.h @@ -1,5 +1,5 @@ -# $Id: makefile.h,v 1.579 2009-02-22 20:58:48 jhammond Exp $ +# $Id$ # # Common definitions for all makefiles ... these can be overridden diff --git a/src/config/makelib.h b/src/config/makelib.h index b3430faa4d..791717436c 100644 --- a/src/config/makelib.h +++ b/src/config/makelib.h @@ -1,4 +1,4 @@ -# $Id: makelib.h,v 1.51 2007-10-24 16:33:24 d3p852 Exp $ +# $Id$ # # A makefile for a library should diff --git a/src/config/nwchem_config_win32.h b/src/config/nwchem_config_win32.h index 6b6630b277..ae6843c1f3 100644 --- a/src/config/nwchem_config_win32.h +++ b/src/config/nwchem_config_win32.h @@ -1,4 +1,4 @@ -# $Id: nwchem_config_win32.h,v 1.24 2004-11-03 00:45:55 edo Exp $ +# $Id$ !IFDEF PYTHONHOME PYTHON_NWLIB = python.lib diff --git a/src/config/show_blas b/src/config/show_blas index 96fed9fc5d..d2497e3a9b 100755 --- a/src/config/show_blas +++ b/src/config/show_blas @@ -1,6 +1,6 @@ #!/bin/csh # -# $Id: show_blas,v 1.4 1997-03-17 21:01:01 d3e129 Exp $ +# $Id$ # # # confirms file(s) that have blas/lapack calls now using the perl scripts diff --git a/src/config/show_dblas b/src/config/show_dblas index 888ad8ad79..0ce7a82cc6 100755 --- a/src/config/show_dblas +++ b/src/config/show_dblas @@ -1,6 +1,6 @@ #!/bin/csh # -# $Id: show_dblas,v 1.4 1997-03-17 21:01:03 d3e129 Exp $ +# $Id$ # # # confirms file(s) that have blas/lapack calls now using the perl scripts diff --git a/src/config/show_sblas b/src/config/show_sblas index b118764993..a6bbee80e1 100755 --- a/src/config/show_sblas +++ b/src/config/show_sblas @@ -1,6 +1,6 @@ #!/bin/csh # -# $Id: show_sblas,v 1.4 1997-03-17 21:01:12 d3e129 Exp $ +# $Id$ # # # confirms file(s) that have blas/lapack calls now using the perl scripts diff --git a/src/config/showblas.pl b/src/config/showblas.pl index 2d6ac6d720..f17cd81427 100644 --- a/src/config/showblas.pl +++ b/src/config/showblas.pl @@ -1,5 +1,5 @@ # -# $Id: showblas.pl,v 1.3 1999-05-20 21:10:18 d3e129 Exp $ +# $Id$ # # perl script searches for both "double" and "single" values of the # blas and lapack routines reporting only those files that have a diff --git a/src/config/showdblas.pl b/src/config/showdblas.pl index 7191271ae3..b65216c65d 100644 --- a/src/config/showdblas.pl +++ b/src/config/showdblas.pl @@ -1,5 +1,5 @@ # -# $Id: showdblas.pl,v 1.3 1999-05-20 21:10:18 d3e129 Exp $ +# $Id$ # # perl script searches for "double" values of the blas and lapack # routines reporting only those files that have a recognized routine. diff --git a/src/config/showsblas.pl b/src/config/showsblas.pl index 05cc5ac2ce..1cd8180fb7 100644 --- a/src/config/showsblas.pl +++ b/src/config/showsblas.pl @@ -1,5 +1,5 @@ # -# $Id: showsblas.pl,v 1.3 1999-05-20 21:10:18 d3e129 Exp $ +# $Id$ # # perl script searches for "single" values of the blas and lapack # routines reporting only those files that have a recognized routine. diff --git a/src/config/simpledepend b/src/config/simpledepend index bfd208cb9d..c6ecc90215 100755 --- a/src/config/simpledepend +++ b/src/config/simpledepend @@ -1,6 +1,6 @@ #!/bin/csh # -# $Id: simpledepend,v 1.2 1997-11-07 11:37:46 d3e129 Exp $ +# $Id$ # # diff --git a/src/config/sngl2dbl.pl b/src/config/sngl2dbl.pl index bf9bdc75d5..f193562923 100644 --- a/src/config/sngl2dbl.pl +++ b/src/config/sngl2dbl.pl @@ -1,5 +1,5 @@ # -# $Id: sngl2dbl.pl,v 1.3 1997-04-18 08:52:22 d3e129 Exp $ +# $Id$ # # # perl script to do transliteration from "single" values to "double" values diff --git a/src/config/sngl_to_dbl b/src/config/sngl_to_dbl index bee95d2757..fcc0319c8e 100755 --- a/src/config/sngl_to_dbl +++ b/src/config/sngl_to_dbl @@ -1,6 +1,6 @@ #!/bin/csh -f # -# $Id: sngl_to_dbl,v 1.10 1998-09-16 09:15:18 d3e129 Exp $ +# $Id$ # @ useperl = 1 diff --git a/src/config/sngl_to_dbl.2.sed b/src/config/sngl_to_dbl.2.sed index f69ba115a6..07cd1d09ef 100644 --- a/src/config/sngl_to_dbl.2.sed +++ b/src/config/sngl_to_dbl.2.sed @@ -1,5 +1,5 @@ # -# $Id: sngl_to_dbl.2.sed,v 1.9 2004-05-14 19:03:43 edo Exp $ +# $Id$ # s/^\( .\)[Ss][Aa][Xx][Pp][Yy]\([^A-Za-z0-9_]\)/\1daxpy\2/ s/^\( .\)[Ss][Dd][Oo][Tt]\([^A-Za-z0-9_]\)/\1ddot\2/ diff --git a/src/config/sngl_to_dbl.sed b/src/config/sngl_to_dbl.sed index 8f20e414d3..dd592a5de5 100644 --- a/src/config/sngl_to_dbl.sed +++ b/src/config/sngl_to_dbl.sed @@ -1,5 +1,5 @@ # -# $Id: sngl_to_dbl.sed,v 1.13 2004-05-14 19:03:43 edo Exp $ +# $Id$ # # This script performs blas keyword substitutions using the sed editor. # It is divided into four separate sed commands because of buffer overflow diff --git a/src/config/stripdepend b/src/config/stripdepend index 1cc11a1e83..935b931dee 100755 --- a/src/config/stripdepend +++ b/src/config/stripdepend @@ -1,6 +1,6 @@ #!/bin/csh # -# $Id: stripdepend,v 1.2 1997-11-07 11:37:48 d3e129 Exp $ +# $Id$ # # diff --git a/src/config/stub.skeleton b/src/config/stub.skeleton index 7e2d161e30..0043c19fd4 100644 --- a/src/config/stub.skeleton +++ b/src/config/stub.skeleton @@ -1,4 +1,4 @@ -* $Id: stub.skeleton,v 1.4 2003-10-20 23:41:17 edo Exp $ +* $Id$ Subroutine STUBROUTINE(RTDB) #include "errquit.fh" Integer RTDB diff --git a/src/config/win32/MakeFile b/src/config/win32/MakeFile index ab9872764a..7783a077ad 100644 --- a/src/config/win32/MakeFile +++ b/src/config/win32/MakeFile @@ -1,5 +1,5 @@ # -# $Id: MakeFile,v 1.3 2000-08-11 20:29:01 bjohnson Exp $ +# $Id$ # CPPFLAGS = -nologo /GX diff --git a/src/config/win32/TokenList.cpp b/src/config/win32/TokenList.cpp index 1b4f232860..62898e7c7a 100644 --- a/src/config/win32/TokenList.cpp +++ b/src/config/win32/TokenList.cpp @@ -1,4 +1,4 @@ -// $Id: TokenList.cpp,v 1.1 2000-07-27 15:54:43 bjohnson Exp $ +// $Id$ /* * TokenList is a class for breaking a string into individual tokens diff --git a/src/config/win32/TokenList.h b/src/config/win32/TokenList.h index 01308bbd61..4dc814706c 100644 --- a/src/config/win32/TokenList.h +++ b/src/config/win32/TokenList.h @@ -1,7 +1,7 @@ #ifndef _H_TOKENLIST #define _H_TOKENLIST -// $Id: TokenList.h,v 1.1 2000-07-27 15:54:43 bjohnson Exp $ +// $Id$ /* * TokenList is a class for breaking a string into individual tokens diff --git a/src/config/win32/cleanmake.cpp b/src/config/win32/cleanmake.cpp index 748b78b913..0a41a415d6 100644 --- a/src/config/win32/cleanmake.cpp +++ b/src/config/win32/cleanmake.cpp @@ -1,4 +1,4 @@ -// $Id: cleanmake.cpp,v 1.3 2000-08-08 23:26:09 bjohnson Exp $ +// $Id$ /* * Cleaning program for auto-generated NMAKE files and Visual Studio project files diff --git a/src/config/win32/convmake.cpp b/src/config/win32/convmake.cpp index 8fdd9996ac..badfa4abf9 100644 --- a/src/config/win32/convmake.cpp +++ b/src/config/win32/convmake.cpp @@ -1,4 +1,4 @@ -// $Id: convmake.cpp,v 1.3 2000-08-08 23:27:55 bjohnson Exp $ +// $Id$ /* * Program for converting an NWChem GNUmakefile to an NMAKE file and Visual Studio project files diff --git a/src/config/win32/file_exists.cpp b/src/config/win32/file_exists.cpp index bea357f5fa..12e734726e 100644 --- a/src/config/win32/file_exists.cpp +++ b/src/config/win32/file_exists.cpp @@ -1,4 +1,4 @@ -// $Id: file_exists.cpp,v 1.1 2000-07-27 15:54:44 bjohnson Exp $ +// $Id$ #include #include diff --git a/src/config/win32/lib.dsp b/src/config/win32/lib.dsp index 9a44e875ea..1f30f1e1e7 100644 --- a/src/config/win32/lib.dsp +++ b/src/config/win32/lib.dsp @@ -7,7 +7,7 @@ CFG=NWCHEM_DIRNAME - Win32 Debug !MESSAGE This is not a valid makefile. To build this project using NMAKE, !MESSAGE use the Export Makefile command and run -!MESSAGE $Id: lib.dsp,v 1.1 2000-08-08 23:30:55 bjohnson Exp $ +!MESSAGE $Id$ !MESSAGE NMAKE /f "NWCHEM_DIRNAME.mak". !MESSAGE !MESSAGE You can specify a configuration when running NMAKE diff --git a/src/config/win32/wrap.dsp b/src/config/win32/wrap.dsp index 4603cdd2d9..f7a0fe63c8 100644 --- a/src/config/win32/wrap.dsp +++ b/src/config/win32/wrap.dsp @@ -7,7 +7,7 @@ CFG=DIRWRAP_wrap - Win32 Debug !MESSAGE This is not a valid makefile. To build this project using NMAKE, !MESSAGE use the Export Makefile command and run -!MESSAGE $Id: wrap.dsp,v 1.2 2000-08-08 23:29:48 bjohnson Exp $ +!MESSAGE $Id$ !MESSAGE NMAKE /f "DIRWRAP_wrap.mak". !MESSAGE !MESSAGE You can specify a configuration when running NMAKE diff --git a/src/cons/GNUmakefile b/src/cons/GNUmakefile index a4bf19220b..14b012c5d0 100644 --- a/src/cons/GNUmakefile +++ b/src/cons/GNUmakefile @@ -1,4 +1,4 @@ -# $Id: GNUmakefile,v 1.5 2004-09-21 19:12:04 marat Exp $ +# $Id$ LIBRARY = libcons.a OBJ = cons_input.o cons.o cons_utils.o cons_springs.o cons_rtdb.o cons_data.o diff --git a/src/cons/cons_data.F b/src/cons/cons_data.F index a69408a4ed..3d016b5008 100644 --- a/src/cons/cons_data.F +++ b/src/cons/cons_data.F @@ -1,4 +1,4 @@ -c $Id: cons_data.F,v 1.3 2004-09-21 19:12:09 marat Exp $ +c $Id$ subroutine cons_set_namespace(namespace) implicit none #include "errquit.fh" diff --git a/src/cons/cons_data.fh b/src/cons/cons_data.fh index 8adb928f79..96bb2aee79 100644 --- a/src/cons/cons_data.fh +++ b/src/cons/cons_data.fh @@ -1,5 +1,5 @@ * -* $Id: cons_data.fh,v 1.7 2004-09-21 19:12:09 marat Exp $ +* $Id$ * integer max_fixed_atoms diff --git a/src/cons/cons_input.F b/src/cons/cons_input.F index 1f77b891b9..e57ea4e9d3 100644 --- a/src/cons/cons_input.F +++ b/src/cons/cons_input.F @@ -1,4 +1,4 @@ -c $Id: cons_input.F,v 1.14 2004-09-21 19:12:09 marat Exp $ +c $Id$ subroutine cons_input(rtdb) implicit none #include "errquit.fh" diff --git a/src/cons/cons_params.fh b/src/cons/cons_params.fh index dad344b5bb..1df37fac28 100644 --- a/src/cons/cons_params.fh +++ b/src/cons/cons_params.fh @@ -1,5 +1,5 @@ * -* $Id: cons_params.fh,v 1.1 2004-04-02 02:36:16 marat Exp $ +* $Id$ * integer max_fixed_atoms diff --git a/src/cons/cons_rtdb.F b/src/cons/cons_rtdb.F index 560d913ed5..4b6d094b72 100644 --- a/src/cons/cons_rtdb.F +++ b/src/cons/cons_rtdb.F @@ -1,4 +1,4 @@ -c $Id: cons_rtdb.F,v 1.4 2005-11-22 20:28:02 marat Exp $ +c $Id$ subroutine cons_create(namespace,rtdb) implicit none #include "errquit.fh" diff --git a/src/cons/cons_utils.F b/src/cons/cons_utils.F index ad479170de..b51b2ce46b 100644 --- a/src/cons/cons_utils.F +++ b/src/cons/cons_utils.F @@ -1,4 +1,4 @@ -c $Id: cons_utils.F,v 1.18 2004-11-29 22:16:58 marat Exp $ +c $Id$ function cons_print() implicit none #include "global.fh" diff --git a/src/cphf/GNUmakefile b/src/cphf/GNUmakefile index 69a9b897e7..cae32b8609 100644 --- a/src/cphf/GNUmakefile +++ b/src/cphf/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.20 2007-02-27 00:21:30 bert Exp $ +# $Id$ # OBJ = cphf.o \ diff --git a/src/cphf/cphf.F b/src/cphf/cphf.F index fbf3c2dadb..075061f93f 100644 --- a/src/cphf/cphf.F +++ b/src/cphf/cphf.F @@ -1,6 +1,6 @@ logical function cphf(rtdb) * -* $Id: cphf.F,v 1.10 2009-02-02 22:27:28 niri Exp $ +* $Id$ * implicit none #include "global.fh" diff --git a/src/cphf/cphf_int_dbg.F b/src/cphf/cphf_int_dbg.F index 045313e182..892a2a8011 100644 --- a/src/cphf/cphf_int_dbg.F +++ b/src/cphf/cphf_int_dbg.F @@ -1,6 +1,6 @@ subroutine cphf_int_debug(geom, basis, g_dens) * -* $Id: cphf_int_dbg.F,v 1.3 2003-10-17 22:54:30 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/cphf/cphf_poliz.F b/src/cphf/cphf_poliz.F index 235432eef2..5f6388e2ca 100644 --- a/src/cphf/cphf_poliz.F +++ b/src/cphf/cphf_poliz.F @@ -5,7 +5,7 @@ c logical function cphf_poliz(rtdb) * -* $Id: cphf_poliz.F,v 1.14 2003-10-17 22:54:30 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/cphf/cphf_poliz_orig b/src/cphf/cphf_poliz_orig index e42d139fba..576d00b4cd 100644 --- a/src/cphf/cphf_poliz_orig +++ b/src/cphf/cphf_poliz_orig @@ -1,6 +1,6 @@ subroutine cphf_poliz( rtdb, geom, basis, movecs ) * -* $Id: cphf_poliz_orig,v 1.2 1997-11-07 11:36:36 d3e129 Exp $ +* $Id$ * implicit none #include "mafdecls.fh" diff --git a/src/cphf/cphf_solve.F b/src/cphf/cphf_solve.F index 3fe2590c65..a3f73dff09 100644 --- a/src/cphf/cphf_solve.F +++ b/src/cphf/cphf_solve.F @@ -1,6 +1,6 @@ subroutine cphf_solve(rtdb) * -* $Id: cphf_solve.F,v 1.36 2008-08-25 21:04:35 niri Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/cphf/cphf_solve2.F b/src/cphf/cphf_solve2.F index 001250c870..f9aeb2feb4 100644 --- a/src/cphf/cphf_solve2.F +++ b/src/cphf/cphf_solve2.F @@ -1,6 +1,6 @@ subroutine cphf_solve2(rtdb) * -* $Id: cphf_solve2.F,v 1.16 2008-08-25 21:04:36 niri Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/cphf/cphf_solve3.F b/src/cphf/cphf_solve3.F index c81d6c5e46..022df25e8c 100644 --- a/src/cphf/cphf_solve3.F +++ b/src/cphf/cphf_solve3.F @@ -8,7 +8,7 @@ subroutine cphf_solve3(rtdb, omega, lifetime, gamwidth) c finite-lifetime damping. Arrays dealing with imaginary c parts have been added, indicated by suffix "_im" * -* $Id: cphf_solve3.F,v 1.4 2009-02-19 22:13:05 niri Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/cphf/cphf_solve4.F b/src/cphf/cphf_solve4.F index 7d64aa4d44..fd0200cf0b 100644 --- a/src/cphf/cphf_solve4.F +++ b/src/cphf/cphf_solve4.F @@ -1,6 +1,6 @@ subroutine cphf_solve4(rtdb) * -* $Id: cphf_solve4.F,v 1.2 2007-11-02 17:12:08 d3p307 Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/cphf/mjdtest.F b/src/cphf/mjdtest.F index 23410c9a08..476b9001e8 100644 --- a/src/cphf/mjdtest.F +++ b/src/cphf/mjdtest.F @@ -1,6 +1,6 @@ subroutine mjdtest(rtdb) * -* $Id: mjdtest.F,v 1.6 2003-12-12 22:52:23 marat Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/dangchang/GNUmakefile b/src/dangchang/GNUmakefile index dd7bdccec2..94ec44286d 100644 --- a/src/dangchang/GNUmakefile +++ b/src/dangchang/GNUmakefile @@ -1,4 +1,4 @@ -#$Id: GNUmakefile,v 1.1 2008-03-02 04:36:18 windus Exp $ +#$Id$ OBJ_OPTIMIZE = dc_energy.o OBJ = dc_initialize.o dc_setgeom.o diff --git a/src/dangchang/dc_common.fh b/src/dangchang/dc_common.fh index 6743847085..194fec0a1b 100644 --- a/src/dangchang/dc_common.fh +++ b/src/dangchang/dc_common.fh @@ -1,4 +1,4 @@ -C$Id: dc_common.fh,v 1.1 2008-03-02 04:36:18 windus Exp $ +C$Id$ INTEGER MXATOM INTEGER MXMOLS diff --git a/src/develop/GNUmakefile b/src/develop/GNUmakefile index 84a0c87ece..dc584a359c 100644 --- a/src/develop/GNUmakefile +++ b/src/develop/GNUmakefile @@ -1,4 +1,4 @@ -#$Id: GNUmakefile,v 1.47 2000-03-21 21:28:18 d3g681 Exp $ +#$Id$ OBJ = rjhtest.o raktest.o raktest_semi.o debtest.o raktestc.o \ rak18.o rak19.o rak20.o rak21.o rak22.o rak23.o rak24.o \ diff --git a/src/develop/cct_UHF.F b/src/develop/cct_UHF.F index 0ece2b41e2..85d3f8075e 100644 --- a/src/develop/cct_UHF.F +++ b/src/develop/cct_UHF.F @@ -25,7 +25,7 @@ logical function CCT_UHF (rtdb) c... ld : leading dimensions c * -* $Id: cct_UHF.F,v 1.11 2003-10-17 22:54:39 carlfahl Exp $ +* $Id$ * implicit none #include "util.fh" diff --git a/src/develop/cct_table_uhf.fh b/src/develop/cct_table_uhf.fh index 4e2ad45e5d..f61944aa53 100644 --- a/src/develop/cct_table_uhf.fh +++ b/src/develop/cct_table_uhf.fh @@ -1,5 +1,5 @@ * -* $Id: cct_table_uhf.fh,v 1.3 1999-07-28 00:42:13 d3e129 Exp $ +* $Id$ * c c... cct_table_uhf diff --git a/src/develop/debtest.F b/src/develop/debtest.F index 5b9637c2a5..71408ca5e2 100644 --- a/src/develop/debtest.F +++ b/src/develop/debtest.F @@ -1,5 +1,5 @@ Logical Function DEBTest(RTDB) -C$Id: debtest.F,v 1.5 1996-03-15 22:04:26 gg502 Exp $ +C$Id$ Implicit NONE Integer RTDB Logical Status diff --git a/src/develop/gaussq_netlib.F b/src/develop/gaussq_netlib.F index a9e389d816..0ebed712a2 100644 --- a/src/develop/gaussq_netlib.F +++ b/src/develop/gaussq_netlib.F @@ -1,5 +1,5 @@ * -* $Id: gaussq_netlib.F,v 1.5 2003-10-17 22:54:39 carlfahl Exp $ +* $Id$ * * ====================================================================== * NIST Guide to Available Math Software. diff --git a/src/develop/jvltest.F b/src/develop/jvltest.F index b3afd5cb74..1e1163cb10 100644 --- a/src/develop/jvltest.F +++ b/src/develop/jvltest.F @@ -1,6 +1,6 @@ logical function jvltest(rtdb) * -* $Id: jvltest.F,v 1.10 2003-10-17 22:54:39 carlfahl Exp $ +* $Id$ * calling routine for CCSD(T) trials * implicit none diff --git a/src/develop/kgdtest.F b/src/develop/kgdtest.F index ba9573a138..fc76530b4f 100644 --- a/src/develop/kgdtest.F +++ b/src/develop/kgdtest.F @@ -1,4 +1,4 @@ -c $Id: kgdtest.F,v 1.12 2003-10-17 22:54:39 carlfahl Exp $ +c $Id$ logical function kgdtest (rtdb) implicit none #include "mafdecls.fh" diff --git a/src/develop/rak18.F b/src/develop/rak18.F index 3195bc4cc0..71eda1a2a7 100644 --- a/src/develop/rak18.F +++ b/src/develop/rak18.F @@ -1,5 +1,5 @@ * -* $Id: rak18.F,v 1.6 2003-10-17 22:54:39 carlfahl Exp $ +* $Id$ * logical function task_computeSld(rtdb) implicit none diff --git a/src/develop/rak19.F b/src/develop/rak19.F index d7c210f76a..6fde939ec0 100644 --- a/src/develop/rak19.F +++ b/src/develop/rak19.F @@ -1,5 +1,5 @@ * -* $Id: rak19.F,v 1.2 1999-07-28 00:42:14 d3e129 Exp $ +* $Id$ * logical function task_printSOints(rtdb) implicit none diff --git a/src/develop/rak20.F b/src/develop/rak20.F index bb3ff5c849..9265faf11c 100644 --- a/src/develop/rak20.F +++ b/src/develop/rak20.F @@ -1,6 +1,6 @@ logical function task_pderiv(rtdb) * -* $Id: rak20.F,v 1.9 2003-10-17 22:54:39 carlfahl Exp $ +* $Id$ * *********************************************************************** * This is about the nuclear coordinate derivatives of multicenter diff --git a/src/develop/rak21.F b/src/develop/rak21.F index 57843769c0..1094f12140 100644 --- a/src/develop/rak21.F +++ b/src/develop/rak21.F @@ -1,5 +1,5 @@ * -* $Id: rak21.F,v 1.6 2003-10-17 22:54:39 carlfahl Exp $ +* $Id$ * logical function task_dddd(rtdb) implicit none diff --git a/src/develop/rak22.F b/src/develop/rak22.F index cce9c0fd6f..f3d18c2157 100644 --- a/src/develop/rak22.F +++ b/src/develop/rak22.F @@ -1,5 +1,5 @@ * -* $Id: rak22.F,v 1.7 2003-10-17 22:54:39 carlfahl Exp $ +* $Id$ * logical function task_accy(rtdb) implicit none diff --git a/src/develop/rak23.F b/src/develop/rak23.F index bbac9febfb..01ec305263 100644 --- a/src/develop/rak23.F +++ b/src/develop/rak23.F @@ -1,5 +1,5 @@ * -* $Id: rak23.F,v 1.10 2003-10-17 22:54:39 carlfahl Exp $ +* $Id$ * logical function raktask_intdd(rtdb) * test the second derivative integrals api diff --git a/src/develop/rak24.F b/src/develop/rak24.F index 4c95492fb5..f453c03748 100644 --- a/src/develop/rak24.F +++ b/src/develop/rak24.F @@ -1,5 +1,5 @@ * -* $Id: rak24.F,v 1.6 2003-10-17 22:54:39 carlfahl Exp $ +* $Id$ * logical function raktask_ecppe(rtdb) * diff --git a/src/develop/rak25.F b/src/develop/rak25.F index 7664beac88..24b7f826dc 100644 --- a/src/develop/rak25.F +++ b/src/develop/rak25.F @@ -1,7 +1,7 @@ logical function task_ecp_deriv_check(rtdb) implicit none #include "errquit.fh" -* $Id: rak25.F,v 1.7 2003-10-17 22:54:39 carlfahl Exp $ +* $Id$ c #include "stdio.fh" #include "mafdecls.fh" diff --git a/src/develop/rak26.F b/src/develop/rak26.F index 1d21f7ef52..7681fea076 100644 --- a/src/develop/rak26.F +++ b/src/develop/rak26.F @@ -1,7 +1,7 @@ logical function task_ecp_print_integrals(rtdb) implicit none #include "errquit.fh" -* $Id: rak26.F,v 1.5 2003-10-17 22:54:39 carlfahl Exp $ +* $Id$ c #include "stdio.fh" #include "mafdecls.fh" diff --git a/src/develop/rak27.F b/src/develop/rak27.F index 6a104933c0..6e90cad37b 100644 --- a/src/develop/rak27.F +++ b/src/develop/rak27.F @@ -1,7 +1,7 @@ logical function task_hondo_deriv_check(rtdb) implicit none #include "errquit.fh" -* $Id: rak27.F,v 1.5 2003-10-17 22:54:39 carlfahl Exp $ +* $Id$ c c For testing hondo gradient integrals. It is currently set up to test c the potential derivative integrals. Comments are sprinkled through the diff --git a/src/develop/rak28.F b/src/develop/rak28.F index 7543397ff5..6477cfbbca 100644 --- a/src/develop/rak28.F +++ b/src/develop/rak28.F @@ -1,5 +1,5 @@ * -* $Id: rak28.F,v 1.3 2003-10-17 22:54:39 carlfahl Exp $ +* $Id$ * logical function raktask_geomcalc(rtdb) *test geom calc stuff diff --git a/src/develop/rak29.F b/src/develop/rak29.F index 1e55db7c68..2e1c8c73b9 100644 --- a/src/develop/rak29.F +++ b/src/develop/rak29.F @@ -1,6 +1,6 @@ logical function raktask_fullsc(rtdb) * -* $Id: rak29.F,v 1.8 2003-10-17 22:54:39 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/develop/rak30.F b/src/develop/rak30.F index c64e88791a..758347c41e 100644 --- a/src/develop/rak30.F +++ b/src/develop/rak30.F @@ -1,5 +1,5 @@ * -* $Id: rak30.F,v 1.7 2003-10-17 22:54:39 carlfahl Exp $ +* $Id$ * logical function raktask_intdd_3c(rtdb) implicit none diff --git a/src/develop/rak31.F b/src/develop/rak31.F index 4795082968..88c890f3a8 100644 --- a/src/develop/rak31.F +++ b/src/develop/rak31.F @@ -1,5 +1,5 @@ * -* $Id: rak31.F,v 1.3 2003-10-17 22:54:39 carlfahl Exp $ +* $Id$ * logical function rak_justrunvib(rtdb) implicit none diff --git a/src/develop/raktest.F b/src/develop/raktest.F index 9a3224147b..197c0eb988 100644 --- a/src/develop/raktest.F +++ b/src/develop/raktest.F @@ -1,7 +1,7 @@ logical function raktest(rtdb) implicit none #include "errquit.fh" -c $Id: raktest.F,v 1.96 2003-10-17 22:54:39 carlfahl Exp $ +c $Id$ #include "mafdecls.fh" #include "rtdb.fh" #include "context.fh" diff --git a/src/develop/raktest_semi.F b/src/develop/raktest_semi.F index 0552448a3f..b7b6c3bf83 100644 --- a/src/develop/raktest_semi.F +++ b/src/develop/raktest_semi.F @@ -1,6 +1,6 @@ #if defined(SEMI) subroutine raktest_semi(rtdb) -* $Id: raktest_semi.F,v 1.4 1996-03-20 23:49:36 vg422 Exp $ +* $Id$ implicit none #include "inp.fh" #include "rtdb.fh" diff --git a/src/develop/raktestc.c b/src/develop/raktestc.c index 3d4498ab1e..40e73fcea9 100644 --- a/src/develop/raktestc.c +++ b/src/develop/raktestc.c @@ -1,5 +1,5 @@ /* - $Id: raktestc.c,v 1.6 2000-07-27 16:03:08 bjohnson Exp $ + $Id$ */ #include "typesf2c.h" diff --git a/src/develop/rjhfileinfo.fh b/src/develop/rjhfileinfo.fh index 90eef62b64..f530be7cac 100644 --- a/src/develop/rjhfileinfo.fh +++ b/src/develop/rjhfileinfo.fh @@ -1,5 +1,5 @@ * -* $Id: rjhfileinfo.fh,v 1.2 1999-07-28 00:42:15 d3e129 Exp $ +* $Id$ * c c Common supporting files for triples files. diff --git a/src/develop/rjhtest.F b/src/develop/rjhtest.F index 1114f36b5b..871f20895e 100644 --- a/src/develop/rjhtest.F +++ b/src/develop/rjhtest.F @@ -1,6 +1,6 @@ logical function rjhtest(rtdb) * -* $Id: rjhtest.F,v 1.25 2003-10-17 22:54:39 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/develop/rjhtrans.F b/src/develop/rjhtrans.F index c76ed0f83f..6b384031be 100644 --- a/src/develop/rjhtrans.F +++ b/src/develop/rjhtrans.F @@ -1,6 +1,6 @@ logical function jvltest2(rtdb) * -* $Id: rjhtrans.F,v 1.9 2003-10-17 22:54:39 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/develop/uccsdtest.F b/src/develop/uccsdtest.F index a0a70dad16..23b8c0a450 100644 --- a/src/develop/uccsdtest.F +++ b/src/develop/uccsdtest.F @@ -1,6 +1,6 @@ logical function uccsdtest(rtdb) * -* $Id: uccsdtest.F,v 1.22 2003-10-17 22:54:39 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/diana/GNUmakefile b/src/diana/GNUmakefile index 53820e76f9..1e71c506b1 100644 --- a/src/diana/GNUmakefile +++ b/src/diana/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.6 2007-05-09 16:20:38 d3j191 Exp $ +# $Id$ # OBJ_OPTIMIZE = dia_alloc.o\ dia_angle.o\ diff --git a/src/diana/dia_alloc.F b/src/diana/dia_alloc.F index 01cce50cef..4dec8689ff 100644 --- a/src/diana/dia_alloc.F +++ b/src/diana/dia_alloc.F @@ -1,6 +1,6 @@ subroutine dia_alloc(ltask) c -c $Id: dia_alloc.F,v 1.2 2007-01-27 02:22:34 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_angle.F b/src/diana/dia_angle.F index dc70c90ed9..4d75e6df83 100644 --- a/src/diana/dia_angle.F +++ b/src/diana/dia_angle.F @@ -1,6 +1,6 @@ real*8 function dia_angle(x,nx,w,nw,na,i,i2,j,j2,k,k2) c -c $Id: dia_angle.F,v 1.1 2006-12-10 01:03:20 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_atrad.F b/src/diana/dia_atrad.F index de7c656ef0..588e5e2b5c 100644 --- a/src/diana/dia_atrad.F +++ b/src/diana/dia_atrad.F @@ -1,6 +1,6 @@ real*8 function dia_atrad(number) c -c $Id: dia_atrad.F,v 1.1 2006-12-10 01:03:20 d3j191 Exp $ +c $Id$ c implicit none integer number diff --git a/src/diana/dia_average.F b/src/diana/dia_average.F index 05c2b38f56..5f2d47a1ea 100644 --- a/src/diana/dia_average.F +++ b/src/diana/dia_average.F @@ -1,6 +1,6 @@ subroutine dia_average() c -c $Id: dia_average.F,v 1.3 2007-03-14 16:17:44 d3j191 Exp $ +c $Id$ c c get atom selection c ------------------ diff --git a/src/diana/dia_bond.F b/src/diana/dia_bond.F index 94620d804f..4b861d86d5 100644 --- a/src/diana/dia_bond.F +++ b/src/diana/dia_bond.F @@ -1,6 +1,6 @@ real*8 function dia_bond(x,nx,w,nw,na,i,i2,j,j2,box) c -c $Id: dia_bond.F,v 1.1 2006-12-10 01:03:20 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_common.fh b/src/diana/dia_common.fh index 42a0e3f36a..f4b6a2d7d3 100644 --- a/src/diana/dia_common.fh +++ b/src/diana/dia_common.fh @@ -1,5 +1,5 @@ c -c $Id: dia_common.fh,v 1.15 2007-05-11 00:05:10 d3j191 Exp $ +c $Id$ c integer mxdist,mxangl,mxtors,mximps parameter(mxdist=100) diff --git a/src/diana/dia_covar.F b/src/diana/dia_covar.F index 25cf4a7072..a3f3396e89 100644 --- a/src/diana/dia_covar.F +++ b/src/diana/dia_covar.F @@ -1,6 +1,6 @@ subroutine dia_covar() c -c $Id: dia_covar.F,v 1.9 2007-05-10 16:52:36 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_data.F b/src/diana/dia_data.F index 52d0334596..48910c90b7 100644 --- a/src/diana/dia_data.F +++ b/src/diana/dia_data.F @@ -1,6 +1,6 @@ subroutine dia_data(t,nx,ix,x) c -c $Id: dia_data.F,v 1.1 2006-12-10 01:03:21 d3j191 Exp $ +c $Id$ c c data entry of analysis module: c diff --git a/src/diana/dia_define.F b/src/diana/dia_define.F index 2395f9e49c..5e2a50e23b 100644 --- a/src/diana/dia_define.F +++ b/src/diana/dia_define.F @@ -1,6 +1,6 @@ subroutine dia_define(sgmnam,isel,wt,x) c -c $Id: dia_define.F,v 1.2 2007-01-27 02:22:35 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_diel.F b/src/diana/dia_diel.F index 7dd9507e58..2a01eb0ba5 100644 --- a/src/diana/dia_diel.F +++ b/src/diana/dia_diel.F @@ -1,6 +1,6 @@ subroutine dia_diel(xs,qs,isel,xw,qw,iwsel) c -c $Id: dia_diel.F,v 1.1 2006-12-10 01:03:21 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_distance.F b/src/diana/dia_distance.F index 511c703ce4..ad76bb7574 100644 --- a/src/diana/dia_distance.F +++ b/src/diana/dia_distance.F @@ -1,6 +1,6 @@ real*8 function dia_distance(x,nx,w,nw,na,i,i2,j,j2,box) c -c $Id: dia_distance.F,v 1.2 2007-04-26 02:38:38 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_espplt.F b/src/diana/dia_espplt.F index 294c8b8121..ee0a4e32fa 100644 --- a/src/diana/dia_espplt.F +++ b/src/diana/dia_espplt.F @@ -1,6 +1,6 @@ subroutine dia_espplt() c -c $Id: dia_espplt.F,v 1.12 2007-05-10 21:17:40 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_evaluate.F b/src/diana/dia_evaluate.F index d66e36dcf3..d39f0c7332 100644 --- a/src/diana/dia_evaluate.F +++ b/src/diana/dia_evaluate.F @@ -1,6 +1,6 @@ subroutine dia_evaluate() c -c $Id: dia_evaluate.F,v 1.9 2007-05-09 18:05:00 d3j191 Exp $ +c $Id$ c c evaluate the defined properties c ------------------------------- diff --git a/src/diana/dia_finish.F b/src/diana/dia_finish.F index 4dd9f1a8ac..d8dca4fb15 100644 --- a/src/diana/dia_finish.F +++ b/src/diana/dia_finish.F @@ -1,6 +1,6 @@ subroutine dia_finish(sgmnam,ltask) c -c $Id: dia_finish.F,v 1.2 2007-03-14 16:17:48 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_gethdr.F b/src/diana/dia_gethdr.F index 9327ea4833..490a2a03fb 100644 --- a/src/diana/dia_gethdr.F +++ b/src/diana/dia_gethdr.F @@ -1,6 +1,6 @@ subroutine dia_gethdr c -c $Id: dia_gethdr.F,v 1.1 2007-01-27 02:26:03 d3j191 Exp $ +c $Id$ c c read the trajectory file header c ------------------------------- diff --git a/src/diana/dia_getref.F b/src/diana/dia_getref.F index 0c88a456ab..54b3acf2ab 100644 --- a/src/diana/dia_getref.F +++ b/src/diana/dia_getref.F @@ -1,6 +1,6 @@ subroutine dia_getref c -c $Id: dia_getref.F,v 1.2 2007-02-06 16:32:24 d3j191 Exp $ +c $Id$ c c read the reference coordinates c ------------------------------ diff --git a/src/diana/dia_getsel.F b/src/diana/dia_getsel.F index 0c30395a27..d79a45efee 100644 --- a/src/diana/dia_getsel.F +++ b/src/diana/dia_getsel.F @@ -1,6 +1,6 @@ subroutine dia_getsel c -c $Id: dia_getsel.F,v 1.10 2007-05-10 00:21:03 d3j191 Exp $ +c $Id$ c c get atom selection c ------------------ diff --git a/src/diana/dia_gettop.F b/src/diana/dia_gettop.F index d1fe1ae083..6b47aec6b9 100644 --- a/src/diana/dia_gettop.F +++ b/src/diana/dia_gettop.F @@ -1,6 +1,6 @@ subroutine dia_gettop c -c $Id: dia_gettop.F,v 1.2 2007-01-30 00:46:21 d3j191 Exp $ +c $Id$ c c read the topology file c ---------------------- diff --git a/src/diana/dia_gettrj.F b/src/diana/dia_gettrj.F index b9e8d39809..5d2c6c9b07 100644 --- a/src/diana/dia_gettrj.F +++ b/src/diana/dia_gettrj.F @@ -1,6 +1,6 @@ subroutine dia_gettrj c -c $Id: dia_gettrj.F,v 1.8 2007-05-10 00:21:03 d3j191 Exp $ +c $Id$ c c read the trajectory c ------------------- diff --git a/src/diana/dia_groups.F b/src/diana/dia_groups.F index 06b45a4f54..c03ebf1eba 100644 --- a/src/diana/dia_groups.F +++ b/src/diana/dia_groups.F @@ -1,6 +1,6 @@ subroutine dia_groups(sgmnam,imol,isel,wt,x) c -c $Id: dia_groups.F,v 1.3 2007-02-06 21:24:16 d3j191 Exp $ +c $Id$ c implicit none c @@ -47,7 +47,7 @@ subroutine dia_groups(sgmnam,imol,isel,wt,x) end subroutine dia_group(sgmnam,imol,isel,wt,x,iwrk) c -c $Id: dia_groups.F,v 1.3 2007-02-06 21:24:16 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_inirms.F b/src/diana/dia_inirms.F index 24ea61b459..2f5bda4e8a 100644 --- a/src/diana/dia_inirms.F +++ b/src/diana/dia_inirms.F @@ -1,6 +1,6 @@ subroutine dia_inirms(xref,xrms,wt) c -c $Id: dia_inirms.F,v 1.1 2006-12-10 01:03:21 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_init.F b/src/diana/dia_init.F index c37fb35645..2bc643f67e 100644 --- a/src/diana/dia_init.F +++ b/src/diana/dia_init.F @@ -1,6 +1,6 @@ subroutine dia_init c -c $Id: dia_init.F,v 1.10 2007-05-11 00:05:10 d3j191 Exp $ +c $Id$ c c c initialize variables diff --git a/src/diana/dia_initx.F b/src/diana/dia_initx.F index 6f8d028555..5814211837 100644 --- a/src/diana/dia_initx.F +++ b/src/diana/dia_initx.F @@ -1,6 +1,6 @@ subroutine dia_initx c -c $Id: dia_initx.F,v 1.1 2006-12-10 01:03:22 d3j191 Exp $ +c $Id$ c c reference coordinated entry of analysis module: c diff --git a/src/diana/dia_input.F b/src/diana/dia_input.F index ef555020b7..e949706c63 100644 --- a/src/diana/dia_input.F +++ b/src/diana/dia_input.F @@ -1,6 +1,6 @@ subroutine dia_input(irtdb) c -c $Id: dia_input.F,v 1.15 2007-05-11 00:05:10 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_params.fh b/src/diana/dia_params.fh index c85009f184..19c5ef0c4b 100644 --- a/src/diana/dia_params.fh +++ b/src/diana/dia_params.fh @@ -1,5 +1,5 @@ c -c $Id: dia_params.fh,v 1.1 2006-12-10 01:03:22 d3j191 Exp $ +c $Id$ c real*8 zero,half,one,two,three parameter(zero=0.0d0) diff --git a/src/diana/dia_pltgrd.F b/src/diana/dia_pltgrd.F index ff06fddfda..742f079672 100644 --- a/src/diana/dia_pltgrd.F +++ b/src/diana/dia_pltgrd.F @@ -1,6 +1,6 @@ subroutine dia_espplt() c -c $Id: dia_pltgrd.F,v 1.2 2007-05-09 16:20:38 d3j191 Exp $ +c $Id$ c implicit none c @@ -29,7 +29,7 @@ subroutine dia_espplt() end subroutine dia_pltgrd(lprint,isel) c -c $Id: dia_pltgrd.F,v 1.2 2007-05-09 16:20:38 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_rama.F b/src/diana/dia_rama.F index 2baeb86b3d..33f1302fa0 100644 --- a/src/diana/dia_rama.F +++ b/src/diana/dia_rama.F @@ -1,6 +1,6 @@ subroutine dia_rama() c -c $Id: dia_rama.F,v 1.5 2007-05-21 17:58:25 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_rdf.F b/src/diana/dia_rdf.F index d937593602..6cf5db6d4a 100644 --- a/src/diana/dia_rdf.F +++ b/src/diana/dia_rdf.F @@ -1,6 +1,6 @@ subroutine dia_rdf_init() c -c $Id: dia_rdf.F,v 1.1 2006-12-10 01:03:22 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_rdfram.F b/src/diana/dia_rdfram.F index b6b3e741b6..52e855aa5e 100644 --- a/src/diana/dia_rdfram.F +++ b/src/diana/dia_rdfram.F @@ -1,6 +1,6 @@ logical function dia_rdfram(x,w,t) c -c $Id: dia_rdfram.F,v 1.7 2007-03-08 23:07:21 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_rdhdr.F b/src/diana/dia_rdhdr.F index 5eb4a68bc1..ed4f07306f 100644 --- a/src/diana/dia_rdhdr.F +++ b/src/diana/dia_rdhdr.F @@ -1,6 +1,6 @@ subroutine dia_rdhdr(sgmnam) c -c $Id: dia_rdhdr.F,v 1.3 2007-02-03 00:40:52 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_rdref.F b/src/diana/dia_rdref.F index 56b856b229..90158955fe 100644 --- a/src/diana/dia_rdref.F +++ b/src/diana/dia_rdref.F @@ -1,6 +1,6 @@ subroutine dia_rdref(x) c -c $Id: dia_rdref.F,v 1.3 2008-04-25 16:03:21 d3j191 Exp $ +c $Id$ c implicit none c @@ -111,7 +111,7 @@ subroutine dia_rdref(x) end subroutine dia_center_ref(x) c -c $Id: dia_rdref.F,v 1.3 2008-04-25 16:03:21 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_report.F b/src/diana/dia_report.F index 4a01baaf78..fe683892fd 100644 --- a/src/diana/dia_report.F +++ b/src/diana/dia_report.F @@ -1,6 +1,6 @@ subroutine dia_report_file(opt,fil,lfn) c -c $Id: dia_report.F,v 1.1 2006-12-10 01:03:23 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_rmsdev.F b/src/diana/dia_rmsdev.F index 762ef00d50..0755ac08aa 100644 --- a/src/diana/dia_rmsdev.F +++ b/src/diana/dia_rmsdev.F @@ -1,6 +1,6 @@ subroutine dia_rmsd c -c $Id: dia_rmsdev.F,v 1.6 2007-03-14 16:17:48 d3j191 Exp $ +c $Id$ implicit none c #include "dia_params.fh" @@ -50,7 +50,7 @@ subroutine dia_rmsd end subroutine dia_rmsdev(xtrj,xr,wt,wts,xrms,rms,trms,ga_rms, + isel,sgmnam) -c $Id: dia_rmsdev.F,v 1.6 2007-03-14 16:17:48 d3j191 Exp $ +c $Id$ implicit none c #include "dia_params.fh" diff --git a/src/diana/dia_rtdbin.F b/src/diana/dia_rtdbin.F index 72b605b015..30b847211b 100644 --- a/src/diana/dia_rtdbin.F +++ b/src/diana/dia_rtdbin.F @@ -1,6 +1,6 @@ subroutine dia_rtdbin c -c $Id: dia_rtdbin.F,v 1.1 2006-12-10 01:03:23 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_saver.F b/src/diana/dia_saver.F index 65db3d7453..e340965602 100644 --- a/src/diana/dia_saver.F +++ b/src/diana/dia_saver.F @@ -1,6 +1,6 @@ subroutine dia_getsel c -c $Id: dia_saver.F,v 1.1 2007-01-27 02:26:03 d3j191 Exp $ +c $Id$ c c get atom selection c ------------------ diff --git a/src/diana/dia_select.F b/src/diana/dia_select.F index 445d58bdd9..6462233be1 100644 --- a/src/diana/dia_select.F +++ b/src/diana/dia_select.F @@ -1,6 +1,6 @@ subroutine dia_select(sgmnam,isel,wt,x,numsel) c -c $Id: dia_select.F,v 1.3 2007-01-30 00:46:21 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_sizref.F b/src/diana/dia_sizref.F index 319d1f910f..423cd18330 100644 --- a/src/diana/dia_sizref.F +++ b/src/diana/dia_sizref.F @@ -1,6 +1,6 @@ subroutine dia_sizref() c -c $Id: dia_sizref.F,v 1.2 2007-01-27 02:22:35 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_super.F b/src/diana/dia_super.F index 3cdafb1c12..4d6340e1af 100644 --- a/src/diana/dia_super.F +++ b/src/diana/dia_super.F @@ -1,6 +1,6 @@ subroutine dia_super() c -c $Id: dia_super.F,v 1.5 2007-03-14 16:17:48 d3j191 Exp $ +c $Id$ c implicit none c @@ -46,7 +46,7 @@ subroutine dia_supimp(xtrj) end subroutine dia_super2(x,ix,nx,mx,y,w,sdev,ny,my,mod,rms0,rms1) c -c $Id: dia_super.F,v 1.5 2007-03-14 16:17:48 d3j191 Exp $ +c $Id$ c c superimpose x(1:n,1:3) onto y(1:n,1:3) c diff --git a/src/diana/dia_tag.F b/src/diana/dia_tag.F index c284d7cd5e..b521c4a7a6 100644 --- a/src/diana/dia_tag.F +++ b/src/diana/dia_tag.F @@ -1,6 +1,6 @@ subroutine dia_tag(sgmnam,x) c -c $Id: dia_tag.F,v 1.2 2007-01-27 02:22:35 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_task.F b/src/diana/dia_task.F index 42fd66dc25..11fda6568c 100644 --- a/src/diana/dia_task.F +++ b/src/diana/dia_task.F @@ -1,6 +1,6 @@ subroutine dia_task c -c $Id: dia_task.F,v 1.15 2007-05-11 00:05:11 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_torsion.F b/src/diana/dia_torsion.F index 75fd380727..d1b2259454 100644 --- a/src/diana/dia_torsion.F +++ b/src/diana/dia_torsion.F @@ -1,6 +1,6 @@ real*8 function dia_torsion(x,nx,w,nw,na,i,i2,j,j2,k,k2,l,l2) c -c $Id: dia_torsion.F,v 1.2 2007-02-03 00:40:52 d3j191 Exp $ +c $Id$ c implicit none #include "global.fh" diff --git a/src/diana/dia_wrtpdb.F b/src/diana/dia_wrtpdb.F index 3dae584481..ff2d008258 100644 --- a/src/diana/dia_wrtpdb.F +++ b/src/diana/dia_wrtpdb.F @@ -1,7 +1,7 @@ subroutine dia_wrtpdb(lopen,lfnpdb,filpdb,sgmnam,isel,xs, + iwsel,xw,logs,logw,ndxw,ifr) c -c $Id: dia_wrtpdb.F,v 1.1 2006-12-10 01:03:24 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_wrtxyz.F b/src/diana/dia_wrtxyz.F index 8c6c51bb1a..ff9e9f9ce1 100644 --- a/src/diana/dia_wrtxyz.F +++ b/src/diana/dia_wrtxyz.F @@ -1,7 +1,7 @@ subroutine dia_wrtxyz(lfnxxx,filxxx,sgmnam,isel,xs,qs, + iwsel,xw,logs,logw,ndxw) c -c $Id: dia_wrtxyz.F,v 1.1 2006-12-10 01:03:24 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_wtfram.F b/src/diana/dia_wtfram.F index 318c46e541..7573bfc2bb 100644 --- a/src/diana/dia_wtfram.F +++ b/src/diana/dia_wtfram.F @@ -1,7 +1,7 @@ subroutine dia_wtfram(fmt,sgmnam,x,w,isel,tag,val, + iwsel,ndxw,ifr) c -c $Id: dia_wtfram.F,v 1.2 2007-01-27 02:22:35 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_wthdr.F b/src/diana/dia_wthdr.F index 401b480853..7b87746abf 100644 --- a/src/diana/dia_wthdr.F +++ b/src/diana/dia_wthdr.F @@ -1,6 +1,6 @@ subroutine dia_wthdr(fmt,sgmnam,tag,isel,logw) c -c $Id: dia_wthdr.F,v 1.2 2007-01-27 02:22:35 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/dia_xaver.F b/src/diana/dia_xaver.F index d216edec51..539e5df6fc 100644 --- a/src/diana/dia_xaver.F +++ b/src/diana/dia_xaver.F @@ -2,7 +2,7 @@ subroutine dia_xaver(xtrj,xa) c c x,xa,nx,mx,nave) c -c $Id: dia_xaver.F,v 1.6 2007-03-14 16:17:49 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/diana/diana.F b/src/diana/diana.F index 3032cd05b4..a66c308a78 100644 --- a/src/diana/diana.F +++ b/src/diana/diana.F @@ -1,6 +1,6 @@ logical function diana(irtdb0) c -c $Id: diana.F,v 1.1 2006-12-10 01:03:24 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/dntmc/GNUmakefile b/src/dntmc/GNUmakefile index 9c89dc4862..5646df3ebd 100644 --- a/src/dntmc/GNUmakefile +++ b/src/dntmc/GNUmakefile @@ -1,4 +1,4 @@ -#$Id: GNUmakefile,v 1.4 2008-03-04 17:55:12 windus Exp $ +#$Id$ OBJ_OPTIMIZE = gibbs.o OBJ = dntmc_input.o dntmc_setgeom.o diff --git a/src/dntmc/dntmc_input.F b/src/dntmc/dntmc_input.F index a62d15ecdd..2fac164825 100644 --- a/src/dntmc/dntmc_input.F +++ b/src/dntmc/dntmc_input.F @@ -1,5 +1,5 @@ subroutine dntmc_input(rtdb) -C $Id: dntmc_input.F,v 1.6 2008-07-18 15:09:26 windus Exp $ +C $Id$ C version 5.0 Dec. 20, 2007 full release version (lcrosby) C modified to include input of number of bins (nob) June 10, 2008 (lcrosby) diff --git a/src/dntmc/dntmc_setgeom.F b/src/dntmc/dntmc_setgeom.F index a5027a4bf6..a367fa99fe 100644 --- a/src/dntmc/dntmc_setgeom.F +++ b/src/dntmc/dntmc_setgeom.F @@ -1,4 +1,4 @@ -C $Id: dntmc_setgeom.F,v 1.6 2008-07-18 15:09:26 windus Exp $ +C $Id$ c c Sets up NWChem and the DNTMC geometry information from the input c information. When come out of here should have a geometry in the rtdb diff --git a/src/dntmc/gibbs.F b/src/dntmc/gibbs.F index 17d77e77c8..7c2fbb71cd 100644 --- a/src/dntmc/gibbs.F +++ b/src/dntmc/gibbs.F @@ -1,4 +1,4 @@ -C$Id: gibbs.F,v 1.23 2008-07-18 15:09:26 windus Exp $ +C$Id$ C23456789012345678901234567890123456789012345678901234567890123456789012 C modified on oct 3, 1999 for restart on mpp1 C modified on oct 25, 1999 for random number generator restart diff --git a/src/dntmc/gibbsP.fh b/src/dntmc/gibbsP.fh index 38e27626f7..83e89546df 100644 --- a/src/dntmc/gibbsP.fh +++ b/src/dntmc/gibbsP.fh @@ -1,4 +1,4 @@ -C$Id: gibbsP.fh,v 1.4 2008-07-18 15:09:27 windus Exp $ +C$Id$ c c First attemp to put some of this information into an include file c diff --git a/src/drdy/GNUmakefile b/src/drdy/GNUmakefile index 465ceb1ce3..0638ba3341 100644 --- a/src/drdy/GNUmakefile +++ b/src/drdy/GNUmakefile @@ -1,4 +1,4 @@ -# $Id: GNUmakefile,v 1.6 2003-04-08 00:15:18 windus Exp $ +# $Id$ HEADERS = OBJ_OPTIMIZE = OBJ = atsym.o drdy.o drdy_input.o Input_for_drdy.o drdy_synch.o \ diff --git a/src/drdy/Input_for_drdy.F b/src/drdy/Input_for_drdy.F index c6902f79d5..49ecf5ec7c 100644 --- a/src/drdy/Input_for_drdy.F +++ b/src/drdy/Input_for_drdy.F @@ -1,4 +1,4 @@ -C $Id: Input_for_drdy.F,v 1.9 2003-10-17 22:54:45 carlfahl Exp $ +C $Id$ Subroutine Input_for_drdy(rtdb) C C Options in lgs array diff --git a/src/drdy/NOTES b/src/drdy/NOTES index f38b7e08c8..ccdde8acea 100644 --- a/src/drdy/NOTES +++ b/src/drdy/NOTES @@ -1,4 +1,4 @@ -$Id: NOTES,v 1.2 2001-01-08 15:51:58 windus Exp $ +$Id$ rphwrt and sort have really stupid file 30 access patterns. too many opens. diff --git a/src/drdy/atsym.F b/src/drdy/atsym.F index a3180ee540..950d5bb5fb 100644 --- a/src/drdy/atsym.F +++ b/src/drdy/atsym.F @@ -1,4 +1,4 @@ -C $Id: atsym.F,v 1.1 2001-01-19 17:43:11 windus Exp $ +C $Id$ Character*2 Function drdy_atsym(iat) C Implicit None diff --git a/src/drdy/cfloat.F b/src/drdy/cfloat.F index 6c1289320d..43dbbd2f74 100644 --- a/src/drdy/cfloat.F +++ b/src/drdy/cfloat.F @@ -1,4 +1,4 @@ -C $Id: cfloat.F,v 1.4 2003-10-17 22:54:45 carlfahl Exp $ +C $Id$ C********************************************************************** C CFLOAT C********************************************************************** diff --git a/src/drdy/diagf.F b/src/drdy/diagf.F index 15364ed17a..c98d6e0687 100644 --- a/src/drdy/diagf.F +++ b/src/drdy/diagf.F @@ -1,4 +1,4 @@ -C $Id: diagf.F,v 1.3 2001-01-19 17:43:11 windus Exp $ +C $Id$ Subroutine drdy_diagf (n3tm,n3,fmat,hess,xlam,u0, & scr1,scr2,ierr) * diff --git a/src/drdy/drdy.F b/src/drdy/drdy.F index 66a0ced148..f07460f930 100644 --- a/src/drdy/drdy.F +++ b/src/drdy/drdy.F @@ -10,7 +10,7 @@ logical function task_drdy(rtdb) end logical function drdy_nwchem(rtdb) * -* $Id: drdy.F,v 1.6 2003-10-17 22:54:46 carlfahl Exp $ +* $Id$ * C C DRDYNWChem - DiRect DYnamics with the NWChem electronic structure code diff --git a/src/drdy/drdyP.fh b/src/drdy/drdyP.fh index 9f01a2e7b0..b001975534 100644 --- a/src/drdy/drdyP.fh +++ b/src/drdy/drdyP.fh @@ -1,5 +1,5 @@ * -* $Id: drdyP.fh,v 1.2 2001-01-19 17:43:11 windus Exp $ +* $Id$ * Double Precision autocm,cau,ckcal,ckg,cang,sreact,sprod Parameter (autocm = 2.19474629d+05) diff --git a/src/drdy/drdy_center.F b/src/drdy/drdy_center.F index 759b0cdda3..8a2480d1cd 100644 --- a/src/drdy/drdy_center.F +++ b/src/drdy/drdy_center.F @@ -1,4 +1,4 @@ -C $Id: drdy_center.F,v 1.1 2003-04-07 20:51:58 windus Exp $ +C $Id$ Subroutine drdy_center (natom,n3,amass,x,xcm) C C Move center of mass of x to origin diff --git a/src/drdy/drdy_input.F b/src/drdy/drdy_input.F index d44451df5a..2a702b639c 100644 --- a/src/drdy/drdy_input.F +++ b/src/drdy/drdy_input.F @@ -1,4 +1,4 @@ -C $Id: drdy_input.F,v 1.11 2003-10-17 22:54:46 carlfahl Exp $ +C $Id$ subroutine drdy_input(rtdb) implicit none #include "errquit.fh" diff --git a/src/drdy/drdy_nwc_get.F b/src/drdy/drdy_nwc_get.F index 5a990941ac..a0521bc3cb 100644 --- a/src/drdy/drdy_nwc_get.F +++ b/src/drdy/drdy_nwc_get.F @@ -1,4 +1,4 @@ -C $Id: drdy_nwc_get.F,v 1.4 2003-10-17 22:54:46 carlfahl Exp $ +C $Id$ subroutine drdy_nwc_get_energy(rtdb,energy) implicit none #include "errquit.fh" diff --git a/src/drdy/drdy_sort.F b/src/drdy/drdy_sort.F index 1ae8694b26..bac778436e 100644 --- a/src/drdy/drdy_sort.F +++ b/src/drdy/drdy_sort.F @@ -1,4 +1,4 @@ -C $Id: drdy_sort.F,v 1.2 2003-10-27 23:09:07 marat Exp $ +C $Id$ Subroutine drdy_sort(lhead,jop,lsad,ns,iflg) C C Sort RPH interpolation information to give points along MEP in diff --git a/src/drdy/drdy_synch.F b/src/drdy/drdy_synch.F index befc99a4d1..9d851e95a3 100644 --- a/src/drdy/drdy_synch.F +++ b/src/drdy/drdy_synch.F @@ -1,4 +1,4 @@ -C $Id: drdy_synch.F,v 1.11 2003-10-17 22:54:46 carlfahl Exp $ +C $Id$ subroutine drdy_synch(opcode,calling_routine) implicit none #include "errquit.fh" diff --git a/src/drdy/dsdt.F b/src/drdy/dsdt.F index 46b3b29669..dc97a08126 100644 --- a/src/drdy/dsdt.F +++ b/src/drdy/dsdt.F @@ -1,4 +1,4 @@ -C $Id: dsdt.F,v 1.3 2001-01-19 17:43:11 windus Exp $ +C $Id$ Subroutine drdy_dsdt (n, g0, xlam, ts, f) Implicit none Integer n diff --git a/src/drdy/euler.F b/src/drdy/euler.F index 6367611778..22318ec7f9 100644 --- a/src/drdy/euler.F +++ b/src/drdy/euler.F @@ -1,4 +1,4 @@ -C $Id: euler.F,v 1.3 2001-01-19 17:43:11 windus Exp $ +C $Id$ Subroutine drdy_euler (n3tm,n3,x,dx,dels) Implicit None Integer n3tm,n3 diff --git a/src/drdy/fdiag.F b/src/drdy/fdiag.F index 05f5096a13..f0137e6347 100644 --- a/src/drdy/fdiag.F +++ b/src/drdy/fdiag.F @@ -1,4 +1,4 @@ -C $Id: fdiag.F,v 1.1 2001-01-19 17:43:12 windus Exp $ +C $Id$ Subroutine drdy_fdiag (ndim,nfreq,ierr,jprnt) C Implicit none diff --git a/src/drdy/getstr.F b/src/drdy/getstr.F index a064cbc264..f2cebeea2e 100644 --- a/src/drdy/getstr.F +++ b/src/drdy/getstr.F @@ -1,4 +1,4 @@ -C $Id: getstr.F,v 1.2 2003-10-17 22:54:46 carlfahl Exp $ +C $Id$ Subroutine drdy_getstr(xnum,cstr,nstr,nten,ndec) C C get string of numbers for a floating point number xnum diff --git a/src/drdy/icint.F b/src/drdy/icint.F index 0429cd9b68..e76a60e771 100644 --- a/src/drdy/icint.F +++ b/src/drdy/icint.F @@ -1,4 +1,4 @@ -C $Id: icint.F,v 1.4 2003-10-17 22:54:46 carlfahl Exp $ +C $Id$ c *************************************************************************** c icint c *************************************************************************** diff --git a/src/drdy/io.F b/src/drdy/io.F index 6be2ee575d..7b1f7cc965 100644 --- a/src/drdy/io.F +++ b/src/drdy/io.F @@ -1,4 +1,4 @@ -C $Id: io.F,v 1.2 2003-10-17 22:54:46 carlfahl Exp $ +C $Id$ Character*80 Function drdy_case (string) c c Function which takes a string of 80 characters and converts the diff --git a/src/drdy/moiten.F b/src/drdy/moiten.F index c8a3ee6a14..6a156bdaaa 100644 --- a/src/drdy/moiten.F +++ b/src/drdy/moiten.F @@ -1,4 +1,4 @@ -C $Id: moiten.F,v 1.4 2003-10-17 22:54:46 carlfahl Exp $ +C $Id$ Subroutine drdy_moiten (x,amat,apack,eig,vec,scr1,scr2,lcol, * natom,ndim) C diff --git a/src/drdy/mxlneq.F b/src/drdy/mxlneq.F index 2efb8f3d68..73c02570d5 100644 --- a/src/drdy/mxlneq.F +++ b/src/drdy/mxlneq.F @@ -1,4 +1,4 @@ -C $Id: mxlneq.F,v 1.4 2003-10-17 22:54:46 carlfahl Exp $ +C $Id$ Subroutine drdy_mxlneq (a,nn,ida,dett,jrank,eps,in,mm) C C PROGRAMMED BY R. HOTCHKISS, U. COMP. CTR., U. OF MINN., REVISED OCT.73 diff --git a/src/drdy/nwc_drdyP.fh b/src/drdy/nwc_drdyP.fh index 9c583579bb..5798d2567d 100644 --- a/src/drdy/nwc_drdyP.fh +++ b/src/drdy/nwc_drdyP.fh @@ -1,4 +1,4 @@ -* $Id: nwc_drdyP.fh,v 1.5 2001-04-25 16:42:08 windus Exp $ +* $Id$ Integer me_drdy, my_rtdb Common /c_drdy_nwchem/ me_drdy, my_rtdb Integer DRDY_CODE_SPENERGY diff --git a/src/drdy/nwc_gen.F b/src/drdy/nwc_gen.F index 410da43ee1..c51f416005 100644 --- a/src/drdy/nwc_gen.F +++ b/src/drdy/nwc_gen.F @@ -1,4 +1,4 @@ -C $Id: nwc_gen.F,v 1.12 2007-01-18 18:06:09 d3p307 Exp $ +C $Id$ Subroutine nwc_gen (x,v,dx,fmat,hess,xs,natom,n3,n3tm,ndbar,op) C C Run NWChem task to get potential and first and second derivatives diff --git a/src/drdy/nwc_s1.F b/src/drdy/nwc_s1.F index 0ad488baba..7d757e4d23 100644 --- a/src/drdy/nwc_s1.F +++ b/src/drdy/nwc_s1.F @@ -1,4 +1,4 @@ -C $Id: nwc_s1.F,v 1.8 2003-10-17 22:54:46 carlfahl Exp $ +C $Id$ Subroutine nwc_s1 (x,v,dx,xs,amass,natom,n3) C THIS ROUTINE IS NOW DEAD. LOOK AT NWC_GEN INSTEAD. C diff --git a/src/drdy/nwc_s2.F b/src/drdy/nwc_s2.F index 103ba8ecfa..7645a9d22f 100644 --- a/src/drdy/nwc_s2.F +++ b/src/drdy/nwc_s2.F @@ -1,4 +1,4 @@ -C $Id: nwc_s2.F,v 1.9 2003-10-17 22:54:46 carlfahl Exp $ +C $Id$ Subroutine nwc_s2 (x,v,dx,fmat,hess,xs,natom,n3,n3tm,ndbar) C THIS ROUTINE IS NOW DEAD. LOOK AT NWC_GEN INSTEAD. C diff --git a/src/drdy/path.F b/src/drdy/path.F index 5e2c6c8f58..9a7933ca00 100644 --- a/src/drdy/path.F +++ b/src/drdy/path.F @@ -1,4 +1,4 @@ -C $Id: path.F,v 1.5 2007-01-18 16:52:03 d3p307 Exp $ +C $Id$ Subroutine drdy_path(ns) C C Calculate steepest descent path from saddle point diff --git a/src/drdy/path2.F b/src/drdy/path2.F index ad1562a8d9..3b334b46b1 100644 --- a/src/drdy/path2.F +++ b/src/drdy/path2.F @@ -1,4 +1,4 @@ -C $Id: path2.F,v 1.4 2003-10-17 22:54:46 carlfahl Exp $ +C $Id$ Subroutine drdy_path2(iopt,delss,delsh,sold,smax,xsign) C C Calculate steepest descent path from saddle point diff --git a/src/drdy/pmclqa.F b/src/drdy/pmclqa.F index 26c2f09a96..0637323e63 100644 --- a/src/drdy/pmclqa.F +++ b/src/drdy/pmclqa.F @@ -1,4 +1,4 @@ -C $Id: pmclqa.F,v 1.3 2001-01-19 17:43:12 windus Exp $ +C $Id$ Subroutine drdy_pmclqa (n3tm,n3,ndbar,x,dx,fmat,fold,hess,amass, * dels,delsf,vec0,vec1,u0,xlam,alpha,ierr) C diff --git a/src/drdy/pmcube.F b/src/drdy/pmcube.F index f8d267f1a0..c3ab1c0572 100644 --- a/src/drdy/pmcube.F +++ b/src/drdy/pmcube.F @@ -1,4 +1,4 @@ -C $Id: pmcube.F,v 1.3 2001-01-19 17:43:12 windus Exp $ +C $Id$ Subroutine drdy_pmcube (n3tm,n3,x,dx,fmat,fold,amass,dels,delsf, * vec0,vec1,vec2) C diff --git a/src/drdy/pmlqa.F b/src/drdy/pmlqa.F index 26347c42ee..c556149a1c 100644 --- a/src/drdy/pmlqa.F +++ b/src/drdy/pmlqa.F @@ -1,4 +1,4 @@ -C $Id: pmlqa.F,v 1.5 2003-10-17 22:54:46 carlfahl Exp $ +C $Id$ Subroutine drdy_pmlqa (n3tm,n3,ndbar,x,dx,fmat,hess,amass,dels, * vec0,vec1,u0,xlam,alpha,ierr) C diff --git a/src/drdy/pmlqsp.F b/src/drdy/pmlqsp.F index abf50f68de..184eb8ed19 100644 --- a/src/drdy/pmlqsp.F +++ b/src/drdy/pmlqsp.F @@ -1,5 +1,5 @@ c -c$Id: pmlqsp.F,v 1.4 2003-10-17 22:54:46 carlfahl Exp $ +c$Id$ c Subroutine drdy_pmlqsp C diff --git a/src/drdy/pot1.F b/src/drdy/pot1.F index b220aacd1c..53a1b1b637 100644 --- a/src/drdy/pot1.F +++ b/src/drdy/pot1.F @@ -1,4 +1,4 @@ -C $Id: pot1.F,v 1.4 2001-01-31 21:42:08 windus Exp $ +C $Id$ Subroutine drdy_pot1 (x,v,dx,xs,amass,natom,ndim) C Implicit none diff --git a/src/drdy/pot2.F b/src/drdy/pot2.F index 0db96c35b8..2b92b157c2 100644 --- a/src/drdy/pot2.F +++ b/src/drdy/pot2.F @@ -1,4 +1,4 @@ -C $Id: pot2.F,v 1.4 2001-01-31 21:42:08 windus Exp $ +C $Id$ Subroutine drdy_pot2 (x,v,dx,fmat,hess,xs,amass, * natom,ndim,maxdim,maxbar) C diff --git a/src/drdy/potset_nwchem.F b/src/drdy/potset_nwchem.F index 9ed76555ca..ac9172e8bd 100644 --- a/src/drdy/potset_nwchem.F +++ b/src/drdy/potset_nwchem.F @@ -1,4 +1,4 @@ -C $Id: potset_nwchem.F,v 1.4 2003-10-17 22:54:46 carlfahl Exp $ +C $Id$ subroutine potset_nwchem(rtdb) * * check for basis sets and theoretical method diff --git a/src/drdy/potsp.F b/src/drdy/potsp.F index f0ef007f6a..725204ac35 100644 --- a/src/drdy/potsp.F +++ b/src/drdy/potsp.F @@ -1,4 +1,4 @@ -C $Id: potsp.F,v 1.3 2001-02-01 01:01:50 windus Exp $ +C $Id$ Subroutine drdy_potsp (x,vsp,dx,amass,natom,ndim) C Implicit None diff --git a/src/drdy/projct.F b/src/drdy/projct.F index 340a968e18..aa456babec 100644 --- a/src/drdy/projct.F +++ b/src/drdy/projct.F @@ -1,4 +1,4 @@ -C $Id: projct.F,v 1.2 2007-01-18 17:15:01 d3p307 Exp $ +C $Id$ Subroutine drdy_projct(ierr) C C Calculates projected force constant matrix, diff --git a/src/drdy/pythag.F b/src/drdy/pythag.F index 09e878ced1..57fc7698c3 100644 --- a/src/drdy/pythag.F +++ b/src/drdy/pythag.F @@ -1,4 +1,4 @@ -C $Id: pythag.F,v 1.1 2001-01-19 17:43:13 windus Exp $ +C $Id$ Double Precision Function drdy_pythag(a,b) C***BEGIN PROLOGUE PYTHAG C***REFER TO EISDOC diff --git a/src/drdy/ratoms.F b/src/drdy/ratoms.F index c8280f7a4a..9eefd59f96 100644 --- a/src/drdy/ratoms.F +++ b/src/drdy/ratoms.F @@ -1,4 +1,4 @@ -C $Id: ratoms.F,v 1.5 2003-10-17 22:54:46 carlfahl Exp $ +C $Id$ subroutine drdy_ratoms(string,istrt) implicit none ! double precision (a-h,o-z) #include "errquit.fh" diff --git a/src/drdy/react.F b/src/drdy/react.F index d35a304df8..241d18410a 100644 --- a/src/drdy/react.F +++ b/src/drdy/react.F @@ -1,4 +1,4 @@ -C $Id: react.F,v 1.3 2001-01-19 17:43:13 windus Exp $ +C $Id$ Subroutine drdy_react(jop) C C Calculate potential and hessian for reactant and product geometries diff --git a/src/drdy/react2.F b/src/drdy/react2.F index 373a41aa39..ce767579d1 100644 --- a/src/drdy/react2.F +++ b/src/drdy/react2.F @@ -1,4 +1,4 @@ -C $Id: react2.F,v 1.3 2001-01-19 17:43:13 windus Exp $ +C $Id$ Subroutine drdy_react2 (iop) C C put correct parts of hessian matrix into fsv, calculate frequencies, diff --git a/src/drdy/read_drdy_rtdb.F b/src/drdy/read_drdy_rtdb.F index 97081b0042..6e1a20cf37 100644 --- a/src/drdy/read_drdy_rtdb.F +++ b/src/drdy/read_drdy_rtdb.F @@ -1,4 +1,4 @@ -C $Id: read_drdy_rtdb.F,v 1.4 2003-10-17 22:54:46 carlfahl Exp $ +C $Id$ c c *************************************************************************** c read5 -> read_drdy_rtdb diff --git a/src/drdy/restor.F b/src/drdy/restor.F index 088e7cbd19..f562e46238 100644 --- a/src/drdy/restor.F +++ b/src/drdy/restor.F @@ -1,4 +1,4 @@ -C $Id: restor.F,v 1.4 2003-10-17 22:54:46 carlfahl Exp $ +C $Id$ Subroutine drdy_restor(lhead,jop,lsad,llopt) C C Read reactant, product, and saddle point information from fu30 file diff --git a/src/drdy/rgener.F b/src/drdy/rgener.F index 60b8530caa..fa99cf6f85 100644 --- a/src/drdy/rgener.F +++ b/src/drdy/rgener.F @@ -1,4 +1,4 @@ -C $Id: rgener.F,v 1.5 2003-10-17 22:54:46 carlfahl Exp $ +C $Id$ Subroutine drdy_rgener(string,iend,istrt) c c called by: diff --git a/src/drdy/rgeom.F b/src/drdy/rgeom.F index e5478e1a2e..fb67ae3374 100644 --- a/src/drdy/rgeom.F +++ b/src/drdy/rgeom.F @@ -1,4 +1,4 @@ -C $Id: rgeom.F,v 1.4 2003-10-17 22:54:46 carlfahl Exp $ +C $Id$ subroutine drdy_rgeom(string,istrt,jtype) c jtype = 1 first reactant c jtype = 2 second reactant diff --git a/src/drdy/rgsad.F b/src/drdy/rgsad.F index 3829669281..a19df48a56 100644 --- a/src/drdy/rgsad.F +++ b/src/drdy/rgsad.F @@ -1,4 +1,4 @@ -C $Id: rgsad.F,v 1.4 2003-10-17 22:54:46 carlfahl Exp $ +C $Id$ subroutine drdy_rgsad(string,istrt,jtype) c c Generic subroutine to read in the initial geometry for the saddle or diff --git a/src/drdy/rline.F b/src/drdy/rline.F index 9f0c6e9045..a7d3f38f00 100644 --- a/src/drdy/rline.F +++ b/src/drdy/rline.F @@ -1,4 +1,4 @@ -C $Id: rline.F,v 1.3 2001-01-19 17:43:14 windus Exp $ +C $Id$ c *************************************************************************** c rline c *************************************************************************** diff --git a/src/drdy/rotf.F b/src/drdy/rotf.F index e99a7c3f64..144d52a5d3 100644 --- a/src/drdy/rotf.F +++ b/src/drdy/rotf.F @@ -1,4 +1,4 @@ -C $Id: rotf.F,v 1.3 2001-01-19 17:43:14 windus Exp $ +C $Id$ Subroutine drdy_rotf (fmat,amat,scr,natom,ndim,maxdim) C C Transform Hessian matrix from Gaussian standard orientation to diff --git a/src/drdy/rotg.F b/src/drdy/rotg.F index 4bcee102ae..cca5aa5146 100644 --- a/src/drdy/rotg.F +++ b/src/drdy/rotg.F @@ -1,4 +1,4 @@ -C $Id: rotg.F,v 1.3 2001-01-19 17:43:14 windus Exp $ +C $Id$ Subroutine drdy_rotg (g,amat,scr,natom,ndim) C C Transform gradient vector from Gaussian standard orientation to diff --git a/src/drdy/rotmat.F b/src/drdy/rotmat.F index f058ece7a7..0f017ef3d0 100644 --- a/src/drdy/rotmat.F +++ b/src/drdy/rotmat.F @@ -1,4 +1,4 @@ -C $Id: rotmat.F,v 1.3 2001-01-19 17:43:14 windus Exp $ +C $Id$ Subroutine drdy_rotmat (x,xs,amat,rr,rrs,rri,natom,ndim) C C Calculate transformation matrix, amat, from rotated orientation, diff --git a/src/drdy/rotx.F b/src/drdy/rotx.F index baa1aca3f4..65edd2b35a 100644 --- a/src/drdy/rotx.F +++ b/src/drdy/rotx.F @@ -1,4 +1,4 @@ -C $Id: rotx.F,v 1.3 2001-01-19 17:43:14 windus Exp $ +C $Id$ Subroutine drdy_rotx (x1,x2,scr,natom,ndim) C C Rotate orientation x2 so principle moments of interia align with those diff --git a/src/drdy/rpath.F b/src/drdy/rpath.F index 1dbcc1bc4f..ff7f46af28 100644 --- a/src/drdy/rpath.F +++ b/src/drdy/rpath.F @@ -1,4 +1,4 @@ -C $Id: rpath.F,v 1.4 2003-10-17 22:54:46 carlfahl Exp $ +C $Id$ subroutine drdy_rpath(string,iend,istrt) c Subroutine to read in the input for following the reaction path Implicit none diff --git a/src/drdy/rphwrt.F b/src/drdy/rphwrt.F index b49d1516c2..954338d9c3 100644 --- a/src/drdy/rphwrt.F +++ b/src/drdy/rphwrt.F @@ -1,4 +1,4 @@ -C $Id: rphwrt.F,v 1.6 2003-10-27 01:29:32 edo Exp $ +C $Id$ #if defined(LINUX) && !defined(XLFLINUX) #define APPEND_OK #endif diff --git a/src/drdy/rstat.F b/src/drdy/rstat.F index 60fc1a92eb..481792ddc0 100644 --- a/src/drdy/rstat.F +++ b/src/drdy/rstat.F @@ -1,5 +1,5 @@ c -c$Id: rstat.F,v 1.4 2003-10-17 22:54:46 carlfahl Exp $ +c$Id$ subroutine drdy_rstat(string,iend,istrt,jtype) c Generic subroutine to read in the input for all the stationary points. c Jtype = 1 first reactant diff --git a/src/drdy/rword.F b/src/drdy/rword.F index 6e8e0cbb95..112261c7da 100644 --- a/src/drdy/rword.F +++ b/src/drdy/rword.F @@ -1,4 +1,4 @@ -C $Id: rword.F,v 1.2 2001-01-08 15:52:01 windus Exp $ +C $Id$ c c *************************************************************************** c rword diff --git a/src/drdy/saddle.F b/src/drdy/saddle.F index dbcbd37c91..24d74783c3 100644 --- a/src/drdy/saddle.F +++ b/src/drdy/saddle.F @@ -1,4 +1,4 @@ -C $Id: saddle.F,v 1.3 2001-01-19 17:43:14 windus Exp $ +C $Id$ Subroutine drdy_saddle c C Calculate potential and hessian for saddle or starting point geometry diff --git a/src/drdy/setpth.F b/src/drdy/setpth.F index 89968fae7a..6573276080 100644 --- a/src/drdy/setpth.F +++ b/src/drdy/setpth.F @@ -1,4 +1,4 @@ -C $Id: setpth.F,v 1.4 2003-10-17 22:54:46 carlfahl Exp $ +C $Id$ Subroutine drdy_setpth C C Setup for first step off saddle point diff --git a/src/drdy/sumout.F b/src/drdy/sumout.F index a8c2d53a66..78e4ebb2b3 100644 --- a/src/drdy/sumout.F +++ b/src/drdy/sumout.F @@ -1,4 +1,4 @@ -C $Id: sumout.F,v 1.1 2001-01-19 17:43:14 windus Exp $ +C $Id$ Subroutine drdy_sumout(ns) C C Sort RPH interpolation information to give points along MEP in diff --git a/src/drdy/tranf.F b/src/drdy/tranf.F index caa5ef876b..51c9c5ac27 100644 --- a/src/drdy/tranf.F +++ b/src/drdy/tranf.F @@ -1,4 +1,4 @@ -C $Id: tranf.F,v 1.3 2001-01-19 17:43:15 windus Exp $ +C $Id$ Subroutine drdy_tranf (iop,ndim,n3,amass,f) C Implicit none diff --git a/src/drdy/trans.F b/src/drdy/trans.F index 54cb661137..a9b87ae553 100644 --- a/src/drdy/trans.F +++ b/src/drdy/trans.F @@ -1,4 +1,4 @@ -C $Id: trans.F,v 1.3 2001-01-19 17:43:15 windus Exp $ +C $Id$ Subroutine drdy_trans (iop,n3,amass,x,dx) C Implicit None diff --git a/src/drdy/wfiles.F b/src/drdy/wfiles.F index 59e96c1e13..4b6352bec2 100644 --- a/src/drdy/wfiles.F +++ b/src/drdy/wfiles.F @@ -1,4 +1,4 @@ -C $Id: wfiles.F,v 1.4 2003-10-17 22:54:46 carlfahl Exp $ +C $Id$ Subroutine drdy_wfiles (swf,iflg) C Implicit none diff --git a/src/esp/GNUmakefile b/src/esp/GNUmakefile index d827435394..2097f0f551 100644 --- a/src/esp/GNUmakefile +++ b/src/esp/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.10 2004-05-06 21:11:50 edo Exp $ +# $Id$ # OBJ_OPTIMIZE = esp.o\ diff --git a/src/esp/esp.F b/src/esp/esp.F index 386a00f9b5..ed72120570 100644 --- a/src/esp/esp.F +++ b/src/esp/esp.F @@ -1,6 +1,6 @@ logical function esp(irtdb0) c -c $Id: esp.F,v 1.12 2005-10-21 19:22:39 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/esp/esp_common.fh b/src/esp/esp_common.fh index 284642e14a..a3ac650a17 100644 --- a/src/esp/esp_common.fh +++ b/src/esp/esp_common.fh @@ -1,5 +1,5 @@ c -c $Id: esp_common.fh,v 1.15 2006-03-08 05:12:59 d3j191 Exp $ +c $Id$ c c esp_mpp : node and global array related variables c ------------------------------------------------- diff --git a/src/esp/esp_dalloc.F b/src/esp/esp_dalloc.F index dd86cfff04..450ed191b1 100644 --- a/src/esp/esp_dalloc.F +++ b/src/esp/esp_dalloc.F @@ -1,6 +1,6 @@ subroutine esp_dalloc c -c $Id: esp_dalloc.F,v 1.8 2005-10-21 19:22:39 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/esp/esp_denmat.F b/src/esp/esp_denmat.F index 8f70882158..de06a368dc 100644 --- a/src/esp/esp_denmat.F +++ b/src/esp/esp_denmat.F @@ -1,6 +1,6 @@ subroutine esp_denmat(occ,ene) c -c $Id: esp_denmat.F,v 1.14 2006-01-21 02:22:52 marat Exp $ +c $Id$ c implicit none c diff --git a/src/esp/esp_elemom.F b/src/esp/esp_elemom.F index bdb77d7a69..a53c025ec7 100644 --- a/src/esp/esp_elemom.F +++ b/src/esp/esp_elemom.F @@ -1,6 +1,6 @@ subroutine esp_elemom(x,qf) c -c $Id: esp_elemom.F,v 1.7 2006-03-08 05:12:59 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/esp/esp_esp.F b/src/esp/esp_esp.F index 4a6c5f76d2..04c9ccbf1b 100644 --- a/src/esp/esp_esp.F +++ b/src/esp/esp_esp.F @@ -1,6 +1,6 @@ subroutine esp_esp(ene,occ,dns,x,q,grid,val) c -c $Id: esp_esp.F,v 1.22 2003-10-20 21:50:48 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/esp/esp_fit.F b/src/esp/esp_fit.F index de5d101270..36e71b58ba 100644 --- a/src/esp/esp_fit.F +++ b/src/esp/esp_fit.F @@ -1,6 +1,6 @@ subroutine esp_fit(g,v,x,q,a,b,bkeep,akeep,qkeep,n,qf,l,tag) c -c $Id: esp_fit.F,v 1.12 2006-03-08 17:21:29 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/esp/esp_getden.F b/src/esp/esp_getden.F index 67b6a7541c..c7faea7d55 100644 --- a/src/esp/esp_getden.F +++ b/src/esp/esp_getden.F @@ -1,6 +1,6 @@ subroutine esp_getden(dns,ifr,ito,jfr,jto) c -c $Id: esp_getden.F,v 1.3 1999-07-28 00:43:10 d3e129 Exp $ +c $Id$ c implicit none c diff --git a/src/esp/esp_getg.F b/src/esp/esp_getg.F index 30065d62e8..c71ac97bd5 100644 --- a/src/esp/esp_getg.F +++ b/src/esp/esp_getg.F @@ -1,6 +1,6 @@ subroutine esp_getg(g,v) c -c $Id: esp_getg.F,v 1.2 2000-03-14 05:44:13 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/esp/esp_getx.F b/src/esp/esp_getx.F index 544c29ccc1..f7ddeff809 100644 --- a/src/esp/esp_getx.F +++ b/src/esp/esp_getx.F @@ -1,6 +1,6 @@ subroutine esp_getx(t,x,q,n) c -c $Id: esp_getx.F,v 1.4 2003-10-19 06:07:31 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/esp/esp_grdcnt.F b/src/esp/esp_grdcnt.F index 80e81b03cf..79f1120bb8 100644 --- a/src/esp/esp_grdcnt.F +++ b/src/esp/esp_grdcnt.F @@ -1,6 +1,6 @@ subroutine esp_grdcnt(x,q) c -c $Id: esp_grdcnt.F,v 1.2 2005-12-01 00:54:12 marat Exp $ +c $Id$ c implicit none c diff --git a/src/esp/esp_grid.F b/src/esp/esp_grid.F index b58d550f91..bc8b92c6df 100644 --- a/src/esp/esp_grid.F +++ b/src/esp/esp_grid.F @@ -1,6 +1,6 @@ subroutine esp_grid(x,q,g,v) c -c $Id: esp_grid.F,v 1.9 2005-12-01 00:54:12 marat Exp $ +c $Id$ c implicit none c diff --git a/src/esp/esp_input.F b/src/esp/esp_input.F index 1e3f34717e..9f3f81268e 100644 --- a/src/esp/esp_input.F +++ b/src/esp/esp_input.F @@ -1,6 +1,6 @@ subroutine esp_input(irtdb) c -c $Id: esp_input.F,v 1.20 2006-03-08 05:12:59 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/esp/esp_jacobi.F b/src/esp/esp_jacobi.F index 805336e143..262e4feeba 100644 --- a/src/esp/esp_jacobi.F +++ b/src/esp/esp_jacobi.F @@ -1,6 +1,6 @@ subroutine esp_jacobi(a) c -c $Id: esp_jacobi.F,v 1.4 2003-10-19 06:07:32 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/esp/esp_malloc.F b/src/esp/esp_malloc.F index a5ba24aa32..96c7415734 100644 --- a/src/esp/esp_malloc.F +++ b/src/esp/esp_malloc.F @@ -1,6 +1,6 @@ subroutine esp_malloc c -c $Id: esp_malloc.F,v 1.16 2006-03-08 05:12:59 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/esp/esp_matinv.F b/src/esp/esp_matinv.F index 03a21683e6..7218ac5987 100644 --- a/src/esp/esp_matinv.F +++ b/src/esp/esp_matinv.F @@ -1,6 +1,6 @@ logical function esp_matinv(a,n,is,iad1,iad2,d,mdm) c -c $Id: esp_matinv.F,v 1.7 2005-10-21 19:22:39 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/esp/esp_out.F b/src/esp/esp_out.F index b39496d8a6..45d5954d49 100644 --- a/src/esp/esp_out.F +++ b/src/esp/esp_out.F @@ -1,6 +1,6 @@ subroutine esp_out(tag,x,qf,g,v) c -c $Id: esp_out.F,v 1.18 2006-03-08 05:13:00 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/esp/esp_params.fh b/src/esp/esp_params.fh index 6f6779a250..704c7d238a 100644 --- a/src/esp/esp_params.fh +++ b/src/esp/esp_params.fh @@ -1,5 +1,5 @@ c -c $Id: esp_params.fh,v 1.3 1997-10-09 15:47:00 d3j191 Exp $ +c $Id$ c real*8 cau2nm parameter(cau2nm=5.29177249d-02) diff --git a/src/esp/esp_plt.F b/src/esp/esp_plt.F index 78f1b61f00..d7ea6d3ae6 100644 --- a/src/esp/esp_plt.F +++ b/src/esp/esp_plt.F @@ -1,6 +1,6 @@ subroutine esp_plt(x,q,g,t) c -c $Id: esp_plt.F,v 1.7 2005-12-05 15:48:40 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/esp/esp_rms.F b/src/esp/esp_rms.F index a9d94fc334..86feae1d54 100644 --- a/src/esp/esp_rms.F +++ b/src/esp/esp_rms.F @@ -1,6 +1,6 @@ subroutine esp_rms(x,qf,g,v) c -c $Id: esp_rms.F,v 1.4 2006-03-08 05:13:00 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/esp/esp_rtdbin.F b/src/esp/esp_rtdbin.F index 2cced145a1..78f8accdda 100644 --- a/src/esp/esp_rtdbin.F +++ b/src/esp/esp_rtdbin.F @@ -1,6 +1,6 @@ subroutine esp_rtdbin c -c $Id: esp_rtdbin.F,v 1.20 2006-03-08 05:13:00 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/esp/esp_wrtinp.F b/src/esp/esp_wrtinp.F index 461849bb4d..edf68ed6a5 100644 --- a/src/esp/esp_wrtinp.F +++ b/src/esp/esp_wrtinp.F @@ -1,6 +1,6 @@ subroutine esp_wrtinp(q) c -c $Id: esp_wrtinp.F,v 1.9 2005-10-21 19:22:40 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/etrans/GNUmakefile b/src/etrans/GNUmakefile index ec9135687b..5380d4bc2d 100644 --- a/src/etrans/GNUmakefile +++ b/src/etrans/GNUmakefile @@ -1,4 +1,4 @@ -# $Id: GNUmakefile,v 1.14 2004-05-14 15:53:46 edo Exp $ +# $Id$ LIBRARY = libetrans.a OBJ = et_calc.o et_input.o et_det.o et_2e.o et_dgefa.o \ diff --git a/src/etrans/et_2e.F b/src/etrans/et_2e.F index 93e4b03098..cb77987ab3 100644 --- a/src/etrans/et_2e.F +++ b/src/etrans/et_2e.F @@ -1,4 +1,4 @@ -c $Id: et_2e.F,v 1.16 2003-10-17 22:54:54 carlfahl Exp $ +c $Id$ subroutine et_2e(rtdb,nbf,basis,geom,max2e,mem2,tol2e, & g_pa,g_pb,omega2) implicit none diff --git a/src/etrans/et_calc.F b/src/etrans/et_calc.F index 7ac264ac48..ca49d5ccd2 100644 --- a/src/etrans/et_calc.F +++ b/src/etrans/et_calc.F @@ -4,7 +4,7 @@ logical function et_calc(rtdb,Vba) c c This function calculates Vba, the electron transfer matrix element. * -* $Id: et_calc.F,v 1.24 2005-10-04 01:35:49 edo Exp $ +* $Id$ c * #include "rtdb.fh" diff --git a/src/etrans/et_det.F b/src/etrans/et_det.F index 3cfa5e41dc..8c7713bddd 100644 --- a/src/etrans/et_det.F +++ b/src/etrans/et_det.F @@ -1,4 +1,4 @@ -c $Id: et_det.F,v 1.6 2003-10-27 23:17:44 marat Exp $ +c $Id$ subroutine et_det(op,handle,n,detval) #include "rtdb.fh" #include "mafdecls.fh" diff --git a/src/etrans/et_dgefa.F b/src/etrans/et_dgefa.F index 96248b626b..c34a9112ae 100644 --- a/src/etrans/et_dgefa.F +++ b/src/etrans/et_dgefa.F @@ -1,4 +1,4 @@ -c $Id: et_dgefa.F,v 1.4 2003-03-20 20:45:33 edo Exp $ +c $Id$ c called by et_det.F subroutine dgedi(a,lda,n,ipvt,det,work,job) integer lda,n,ipvt(1),job diff --git a/src/etrans/et_input.F b/src/etrans/et_input.F index 3f118fe169..a512345f18 100644 --- a/src/etrans/et_input.F +++ b/src/etrans/et_input.F @@ -1,4 +1,4 @@ -c $Id: et_input.F,v 1.9 2003-10-17 22:54:54 carlfahl Exp $ +c $Id$ subroutine et_input(rtdb) implicit none #include "errquit.fh" diff --git a/src/etrans/et_vectors_inp.F b/src/etrans/et_vectors_inp.F index da2243e495..e872d30ed2 100644 --- a/src/etrans/et_vectors_inp.F +++ b/src/etrans/et_vectors_inp.F @@ -1,5 +1,5 @@ subroutine et_vecs_input(rtdb,module) -C $Id: et_vectors_inp.F,v 1.3 2004-04-23 20:35:45 edo Exp $ +C $Id$ implicit none #include "errquit.fh" #include "inp.fh" diff --git a/src/geninterface/GNUmakefile b/src/geninterface/GNUmakefile index 3522ffcb38..93f87ea714 100644 --- a/src/geninterface/GNUmakefile +++ b/src/geninterface/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.2 2003-09-19 14:15:32 windus Exp $ +# $Id$ # LIBRARY = libgeninterface.a diff --git a/src/geninterface/NWChemWrap.F b/src/geninterface/NWChemWrap.F index 1d6d82dc43..6152d531f3 100644 --- a/src/geninterface/NWChemWrap.F +++ b/src/geninterface/NWChemWrap.F @@ -1,4 +1,4 @@ -C $Id: NWChemWrap.F,v 1.6 2006-06-21 16:37:58 d3m782 Exp $ +C $Id$ subroutine NWChem_nwchemStart(directory) implicit none #include "mafdecls.fh" diff --git a/src/geninterface/geninterface.F b/src/geninterface/geninterface.F index bd73e3145b..88b2663bd9 100644 --- a/src/geninterface/geninterface.F +++ b/src/geninterface/geninterface.F @@ -1,5 +1,5 @@ C -C $Id: geninterface.F,v 1.12 2006-02-08 16:43:16 windus Exp $ +C $Id$ C C This is a first attempt at an interface code for Venus written in F77. C diff --git a/src/geninterface/geninterface.fh b/src/geninterface/geninterface.fh index b741d5a19f..01ecc7ae7c 100644 --- a/src/geninterface/geninterface.fh +++ b/src/geninterface/geninterface.fh @@ -1,5 +1,5 @@ C -C $Id: geninterface.fh,v 1.1 2003-03-31 23:16:56 windus Exp $ +C $Id$ C C Hold variable that will be needed throughout the interface C diff --git a/src/geom/GNUmakefile b/src/geom/GNUmakefile index d8551b5f7f..109d5cf459 100644 --- a/src/geom/GNUmakefile +++ b/src/geom/GNUmakefile @@ -1,4 +1,4 @@ -#$Id: GNUmakefile,v 1.60 2008-04-02 16:49:43 d3p307 Exp $ +#$Id$ LIBRARY = libnwcutil.a diff --git a/src/geom/MakeFile b/src/geom/MakeFile index 38b9b48d09..23f25c12c9 100644 --- a/src/geom/MakeFile +++ b/src/geom/MakeFile @@ -1,5 +1,5 @@ # -# $Id: MakeFile,v 1.6 2003-10-28 23:52:51 edo Exp $ +# $Id$ # diff --git a/src/geom/geom.F b/src/geom/geom.F index 70b1f3405a..a48148d2b1 100644 --- a/src/geom/geom.F +++ b/src/geom/geom.F @@ -1,5 +1,5 @@ block data geom_data -C$Id: geom.F,v 1.149 2008-08-03 00:27:45 jhammond Exp $ +C$Id$ implicit none #include "nwc_const.fh" #include "geomP.fh" diff --git a/src/geom/geom.fh b/src/geom/geom.fh index 11892065a3..4ecdb554e7 100644 --- a/src/geom/geom.fh +++ b/src/geom/geom.fh @@ -1,5 +1,5 @@ logical geom_check_handle -C$Id: geom.fh,v 1.46 2008-03-13 17:00:54 marat Exp $ +C$Id$ logical geom_disable_zmatrix logical geom_check_cent logical geom_rtdb_load diff --git a/src/geom/geomP.fh b/src/geom/geomP.fh index 7e4575504f..dec573b882 100644 --- a/src/geom/geomP.fh +++ b/src/geom/geomP.fh @@ -1,5 +1,5 @@ * -* $Id: geomP.fh,v 1.32 2009-01-12 19:20:07 bert Exp $ +* $Id$ * c c Private fortran include file for the geometry routines diff --git a/src/geom/geom_1d.F b/src/geom/geom_1d.F index 5c31741b90..aaddc0e49c 100644 --- a/src/geom/geom_1d.F +++ b/src/geom/geom_1d.F @@ -1,6 +1,6 @@ subroutine geom_1d(geom,c2au) * -* $Id: geom_1d.F,v 1.7 2003-10-27 23:24:04 marat Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/geom/geom_2d.F b/src/geom/geom_2d.F index d238c53cdd..0a962bbe62 100644 --- a/src/geom/geom_2d.F +++ b/src/geom/geom_2d.F @@ -65,7 +65,7 @@ c*********************************************************************** subroutine geom_2d(geom,c2au) * -* $Id: geom_2d.F,v 1.5 1999-07-14 00:28:57 d3e129 Exp $ +* $Id$ * implicit none #include "inp.fh" diff --git a/src/geom/geom_3d.F b/src/geom/geom_3d.F index fd484afea1..3288e0d86c 100644 --- a/src/geom/geom_3d.F +++ b/src/geom/geom_3d.F @@ -16,7 +16,7 @@ c The lattice angles are input in Degrees c*********************************************************************** subroutine geom_3d(geom,c2au) -C$Id: geom_3d.F,v 1.10 2004-11-29 15:58:51 bylaska Exp $ +C$Id$ implicit none #include "global.fh" #include "inp.fh" diff --git a/src/geom/geom_checksum.F b/src/geom/geom_checksum.F index f33d3b9333..f3cc3496d1 100644 --- a/src/geom/geom_checksum.F +++ b/src/geom/geom_checksum.F @@ -1,6 +1,6 @@ logical function geom_checksum(geom, sum) * -* $Id: geom_checksum.F,v 1.3 1999-07-14 00:28:58 d3e129 Exp $ +* $Id$ * implicit none #include "nwc_const.fh" diff --git a/src/geom/geom_fragment.F b/src/geom/geom_fragment.F index 602233f96f..9240fc4a11 100644 --- a/src/geom/geom_fragment.F +++ b/src/geom/geom_fragment.F @@ -1,6 +1,6 @@ subroutine geom_fragment(rtdb,nfrags_return) c -c $Id: geom_fragment.F,v 1.5 2005-12-20 18:59:53 edo Exp $ +c $Id$ c c Subroutines and functions in this file are to help c perform almost automatically the fragment MO for @@ -202,7 +202,7 @@ subroutine geom_fragment(rtdb,nfrags_return) subroutine select_fragment(rtdb,ifrag,dipole) c -c $Id: geom_fragment.F,v 1.5 2005-12-20 18:59:53 edo Exp $ +c $Id$ c c Overwrite the main geometry entry in RTDB by that of a fragment. c @@ -305,7 +305,7 @@ subroutine select_fragment(rtdb,ifrag,dipole) subroutine select_fragmentpair(rtdb,ifrag,jfrag,dipole,r) c -c $Id: geom_fragment.F,v 1.5 2005-12-20 18:59:53 edo Exp $ +c $Id$ c c Overwrite the main geometry entry in RTDB by that of a fragment pair. c @@ -443,7 +443,7 @@ subroutine select_fragmentpair(rtdb,ifrag,jfrag,dipole,r) subroutine select_fragmenttriplet(rtdb,ifrag,jfrag,kfrag,dipole) c -c $Id: geom_fragment.F,v 1.5 2005-12-20 18:59:53 edo Exp $ +c $Id$ c c Overwrite the main geometry entry in RTDB by that of a fragment triplet. c diff --git a/src/geom/geom_fragment.fh b/src/geom/geom_fragment.fh index 83dbbc3092..8e0935afd2 100644 --- a/src/geom/geom_fragment.fh +++ b/src/geom/geom_fragment.fh @@ -1,4 +1,4 @@ -c $Id: geom_fragment.fh,v 1.1 2004-02-01 22:03:50 sohirata Exp $ +c $Id$ c c Include file for Geom_fragment c diff --git a/src/geom/geom_getsym.F b/src/geom/geom_getsym.F index eef5fd3f8e..301c0ae031 100644 --- a/src/geom/geom_getsym.F +++ b/src/geom/geom_getsym.F @@ -2,7 +2,7 @@ subroutine geom_getsym0(rtdb,geom,oautosym, , ncenter,isys, , name,tags, , threquiv,scale,coords,charge,velocities) -C $Id: geom_getsym.F,v 1.2 2006-06-06 01:30:37 edo Exp $ +C $Id$ implicit none #include "errquit.fh" #include "stdio.fh" diff --git a/src/geom/geom_hnd.F b/src/geom/geom_hnd.F index 78058328fd..31c2360ab9 100644 --- a/src/geom/geom_hnd.F +++ b/src/geom/geom_hnd.F @@ -1,5 +1,5 @@ * -* $Id: geom_hnd.F,v 1.48 2009-01-12 19:20:08 bert Exp $ +* $Id$ * subroutine geom_bandbi(geom) implicit none diff --git a/src/geom/geom_input.F b/src/geom/geom_input.F index 2f41669ed1..9fb1a482a0 100644 --- a/src/geom/geom_input.F +++ b/src/geom/geom_input.F @@ -1,5 +1,5 @@ subroutine geom_input(rtdb) -C $Id: geom_input.F,v 1.191 2009-03-09 21:47:38 d3p307 Exp $ +C $Id$ implicit none #include "errquit.fh" #include "stdio.fh" diff --git a/src/geom/geom_input2.F b/src/geom/geom_input2.F index 51fd03811c..4b63ac4571 100644 --- a/src/geom/geom_input2.F +++ b/src/geom/geom_input2.F @@ -1,6 +1,6 @@ logical function geom_zmt_get_varinfo(geom,zvarname,zvarsign) * -* $Id: geom_input2.F,v 1.8 1999-07-28 00:41:33 d3e129 Exp $ +* $Id$ * implicit none #include "nwc_const.fh" diff --git a/src/geom/geom_numcore.F b/src/geom/geom_numcore.F index 441d5bd424..dde71cad72 100644 --- a/src/geom/geom_numcore.F +++ b/src/geom/geom_numcore.F @@ -6,7 +6,7 @@ C SYNOPSIS Logical Function Geom_Num_Core(rtdb, Geom, module, NCore) * -* $Id: geom_numcore.F,v 1.7 2003-02-20 17:22:00 edo Exp $ +* $Id$ * Implicit NONE C diff --git a/src/geom/geom_print_ecce.F b/src/geom/geom_print_ecce.F index 0a4f39c47a..aa8caa5f1a 100644 --- a/src/geom/geom_print_ecce.F +++ b/src/geom/geom_print_ecce.F @@ -1,6 +1,6 @@ subroutine geom_print_rtdb_ecce(rtdb) * -* $Id: geom_print_ecce.F,v 1.6 2003-10-17 22:55:06 carlfahl Exp $ +* $Id$ * #include "geom.fh" #include "errquit.fh" diff --git a/src/geom/geomhnd.fh b/src/geom/geomhnd.fh index 298766988b..7c58c64c5c 100644 --- a/src/geom/geomhnd.fh +++ b/src/geom/geomhnd.fh @@ -1,5 +1,5 @@ * -* $Id: geomhnd.fh,v 1.2 1999-07-28 00:41:33 d3e129 Exp $ +* $Id$ * c c parallel -- if true geom_hnd_check/put/get_data broadcast diff --git a/src/gradients/GNUmakefile b/src/gradients/GNUmakefile index 72866e5775..ad1a45a159 100644 --- a/src/gradients/GNUmakefile +++ b/src/gradients/GNUmakefile @@ -1,4 +1,4 @@ -# $Id: GNUmakefile,v 1.31 1999-06-17 17:02:33 edo Exp $ +# $Id$ OBJ = gradients.o grad_force.o grad1.o scf_gradient.o \ grad_dens.o grad_inp.o ga_reorder.o diff --git a/src/gradients/ga_reorder.F b/src/gradients/ga_reorder.F index 861f3b49fb..cffdc95dc8 100644 --- a/src/gradients/ga_reorder.F +++ b/src/gradients/ga_reorder.F @@ -1,6 +1,6 @@ subroutine ga_reorder(g_a, orow, rmap, ocol, cmap) * -* $Id: ga_reorder.F,v 1.5 2003-10-17 22:55:08 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/gradients/grad1.F b/src/gradients/grad1.F index 9ad23ea3d4..e6fd5694ca 100644 --- a/src/gradients/grad1.F +++ b/src/gradients/grad1.F @@ -2,7 +2,7 @@ subroutine grad1 ( H, lbuf, scr, lscr, dens, wdens, frc_nuc, $ frc_kin, frc_wgh, g_force, $ g_dens, g_wdens, basis, geom, nproc, nat, $ max_at_bf, rtdb, oskel ) -c$Id: grad1.F,v 1.17 2008-04-22 22:00:19 niri Exp $ +c$Id$ C one electron contribution to RHF, ROHF and UHF gradients C now also UMP2 @@ -255,7 +255,7 @@ subroutine grad_hnd_cos ( H, lbuf, scr, lscr, $ frc_kin, frc_wgh, g_force, $ g_dens, g_wdens, basis, geom, nproc, nat, $ max_at_bf, rtdb, oskel ) -c$Id: grad1.F,v 1.17 2008-04-22 22:00:19 niri Exp $ +c$Id$ C one electron contribution to RHF, ROHF and UHF gradients C now also UMP2 diff --git a/src/gradients/grad2.F b/src/gradients/grad2.F index 022b51e4c9..aaec09c99b 100644 --- a/src/gradients/grad2.F +++ b/src/gradients/grad2.F @@ -14,7 +14,7 @@ subroutine grad2( $ nopen,nbf,pdm2,pdm2a,pdm2b,pdm2c,pdm2d,coeff, $ nshblocks, shmap, shglo, shghi, bfglo, bfghi, bfmap, rbfmap, $ bftoat, shbflo, shbfhi, jfac, kfac, exso) -c $Id: grad2.F,v 1.33 2003-10-17 22:55:09 carlfahl Exp $ +c $Id$ implicit none #include "errquit.fh" #include "sym.fh" diff --git a/src/gradients/grad_dens.F b/src/gradients/grad_dens.F index 598d2a5be1..b19a0bc994 100644 --- a/src/gradients/grad_dens.F +++ b/src/gradients/grad_dens.F @@ -2,7 +2,7 @@ subroutine grad_dens (geom, basis, g_dens, g_wdens, g_eigen_diag, $ evals, occ, ndens, nbf, nbf2, nopen, nclosed, scftype, $ movecs, omp2, pdm2, coeff,lsmear,osep) -c $Id: grad_dens.F,v 1.13 2003/10/17 22:55:09 carlfahl Exp $ +c $Id$ C calculate the density and energy-weighted density matrices from the C movecs (and Lagrangian in ROHF case) on disk diff --git a/src/gradients/grad_force.F b/src/gradients/grad_force.F index 85fe5bffc6..ebeabb1883 100644 --- a/src/gradients/grad_force.F +++ b/src/gradients/grad_force.F @@ -1,5 +1,5 @@ subroutine grad_force(rtdb, basis, geom) -c $Id: grad_force.F,v 1.68 2008-12-06 23:11:10 niri Exp $ +c $Id$ C calculate energy gradients with respect to nuclear coordinates C------------------------------------------------------------------------------ C ___ ___ ___ diff --git a/src/gradients/grad_getdens.F b/src/gradients/grad_getdens.F index 1078701096..60ff6fc654 100644 --- a/src/gradients/grad_getdens.F +++ b/src/gradients/grad_getdens.F @@ -126,7 +126,7 @@ subroutine grad_get_dens(d_ij, d_kl, d_ik, d_jl, d_il, d_jk, $ ilo, ihi, jlo, jhi, klo, khi, llo, lhi, $ ogetij, ogetik, ogetjk, $ g_dens) -c$Id: grad_getdens.F,v 1.6 2003-10-17 22:55:09 carlfahl Exp $ +c$Id$ C C get blocks from density matrix and make sure no block is C transferred twice diff --git a/src/gradients/grad_inp.F b/src/gradients/grad_inp.F index b72a039bfd..702c38dd90 100644 --- a/src/gradients/grad_inp.F +++ b/src/gradients/grad_inp.F @@ -1,5 +1,5 @@ subroutine gradients_input(rtdb) -C$Id: grad_inp.F,v 1.2 2003-10-17 22:55:09 carlfahl Exp $ +C$Id$ implicit none #include "errquit.fh" #include "inp.fh" diff --git a/src/gradients/grad_store.F b/src/gradients/grad_store.F index e3903f9a12..01e0d6d383 100644 --- a/src/gradients/grad_store.F +++ b/src/gradients/grad_store.F @@ -1,7 +1,7 @@ subroutine grad_store ( rtdb, geom, g_force, chktime, nat, nquad, $ frc, oinit, ofinish, oactive, oskel, omp2 ) -c$Id: grad_store.F,v 1.6 2003-10-17 22:55:09 carlfahl Exp $ +c$Id$ C======================================================================= C Syncs and writes the partially calculated forces to rtdb if either: C - checkpointing is requested and the specified time has elapsed. diff --git a/src/gradients/gradients.F b/src/gradients/gradients.F index b9e1fba7b8..6283012738 100644 --- a/src/gradients/gradients.F +++ b/src/gradients/gradients.F @@ -1,5 +1,5 @@ logical function gradients(rtdb) -c$Id: gradients.F,v 1.30 2003-12-12 22:50:05 marat Exp $ +c$Id$ implicit none #include "errquit.fh" #include "mafdecls.fh" diff --git a/src/gradients/scf_gradient.F b/src/gradients/scf_gradient.F index 7106548dfd..81791d6c6e 100644 --- a/src/gradients/scf_gradient.F +++ b/src/gradients/scf_gradient.F @@ -21,7 +21,7 @@ logical function mcscf_gradient(rtdb) c end logical function scf_gradient(rtdb) -c$Id: scf_gradient.F,v 1.9 2003-10-17 22:55:09 carlfahl Exp $ +c$Id$ implicit none #include "errquit.fh" #include "rtdb.fh" diff --git a/src/include/GNUmakefile b/src/include/GNUmakefile index 460f131d3f..01e7650700 100644 --- a/src/include/GNUmakefile +++ b/src/include/GNUmakefile @@ -1,4 +1,4 @@ -#$Id: GNUmakefile,v 1.16 2005-10-20 01:04:24 edo Exp $ +#$Id$ # # This directory is a central repository for all include # files. The makefile in each subdirectory should contain diff --git a/src/include/MakeFile b/src/include/MakeFile index 42818c63a9..06cc32f97f 100644 --- a/src/include/MakeFile +++ b/src/include/MakeFile @@ -1,5 +1,5 @@ # -# $Id: MakeFile,v 1.1 1999-11-17 18:37:37 bjohnson Exp $ +# $Id$ # # Note - collection of header files into this dir is currently being done diff --git a/src/inp/GNUmakefile b/src/inp/GNUmakefile index ed8579b005..96a646ec9f 100644 --- a/src/inp/GNUmakefile +++ b/src/inp/GNUmakefile @@ -1,4 +1,4 @@ -# $Id: GNUmakefile,v 1.23 2001-08-28 00:54:37 edo Exp $ +# $Id$ LIBRARY = libnwcutil.a OBJ_OPTIMIZE = inp.o inp_irange.o diff --git a/src/inp/MakeFile b/src/inp/MakeFile index 9f8159de73..d47c229360 100644 --- a/src/inp/MakeFile +++ b/src/inp/MakeFile @@ -1,5 +1,5 @@ # -# $Id: MakeFile,v 1.4 2001-08-28 01:01:21 edo Exp $ +# $Id$ # #!MESSAGE *** Unresolved issues in this nmake file *** diff --git a/src/inp/c_inp.c b/src/inp/c_inp.c index 0fc69336ef..534fbe9ef6 100644 --- a/src/inp/c_inp.c +++ b/src/inp/c_inp.c @@ -1,5 +1,5 @@ /* - $Id: c_inp.c,v 1.7 2003-08-13 16:45:43 edo Exp $ + $Id$ */ #if defined(CRAY) && !defined(__crayx1) diff --git a/src/inp/hnd_rdfree.F b/src/inp/hnd_rdfree.F index 104b1ba346..47a9761ddc 100644 --- a/src/inp/hnd_rdfree.F +++ b/src/inp/hnd_rdfree.F @@ -30,7 +30,7 @@ c$$$ end subroutine hnd_rdfree(ir, string, ierr) * -* $Id: hnd_rdfree.F,v 1.5 2003-10-17 22:55:17 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/inp/inp.F b/src/inp/inp.F index 08edfe1c2d..e87ada37f1 100644 --- a/src/inp/inp.F +++ b/src/inp/inp.F @@ -1,5 +1,5 @@ block data inp_data -C$Id: inp.F,v 1.50 2008-10-23 20:19:43 d3p307 Exp $ +C$Id$ implicit none #include "inpP.fh" c diff --git a/src/inp/inpP.fh b/src/inp/inpP.fh index 22c3553f81..9948bd862a 100644 --- a/src/inp/inpP.fh +++ b/src/inp/inpP.fh @@ -6,7 +6,7 @@ c ** implicit character *4 (y) c integer max_width ! Maximum input width of an input line -C$Id: inpP.fh,v 1.8 1999-07-08 19:10:55 d3e129 Exp $ +C$Id$ integer max_field ! Maximum no. of fields in an input line parameter (max_width = 1024) parameter (max_field = max_width/2 + 1) diff --git a/src/inp/inp_ilist.F b/src/inp/inp_ilist.F index 001f27bd8c..0ba1a4110d 100644 --- a/src/inp/inp_ilist.F +++ b/src/inp/inp_ilist.F @@ -3,7 +3,7 @@ C inp_ilist -- read an integer list, possibly including ranges C C REVISION -C $Id: inp_ilist.F,v 1.4 2004-01-14 00:25:07 marat Exp $ +C $Id$ C C SYNOPSIS Logical Function Inp_IList( MaxList, List, N) diff --git a/src/inp/inp_irange.F b/src/inp/inp_irange.F index 088da6aaad..74eb05fbcd 100644 --- a/src/inp/inp_irange.F +++ b/src/inp/inp_irange.F @@ -1,6 +1,6 @@ logical function inp_irange(JFirst, JLast, JStride) * -* $Id: inp_irange.F,v 1.5 1997-11-04 10:02:28 d3e129 Exp $ +* $Id$ * implicit none #include "inpP.fh" diff --git a/src/inp/test.F b/src/inp/test.F index b8cb3e9c31..dc4128fc83 100644 --- a/src/inp/test.F +++ b/src/inp/test.F @@ -1,5 +1,5 @@ program test -C$Id: test.F,v 1.3 1995-04-17 21:32:52 gg502 Exp $ +C$Id$ implicit none #include "inp.fh" character*30 aval diff --git a/src/inp/test_ilist.F b/src/inp/test_ilist.F index 97f3bcd8df..920a0bcc9e 100644 --- a/src/inp/test_ilist.F +++ b/src/inp/test_ilist.F @@ -1,5 +1,5 @@ program test -C$Id: test_ilist.F,v 1.1 1995-04-17 23:39:14 gg502 Exp $ +C$Id$ implicit none #include "inp.fh" character*30 aval diff --git a/src/java/GNUmakefile b/src/java/GNUmakefile index ab0dc374c8..6447d474ae 100644 --- a/src/java/GNUmakefile +++ b/src/java/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.23 2008-01-25 01:15:18 d3j191 Exp $ +# $Id$ # OBJ_CLASS = PrintfFormat.class PrintfWriter.class PrintfStream.class\ diff --git a/src/java/Graph.java b/src/java/Graph.java index a7826de8d0..2ed8f7a1fa 100644 --- a/src/java/Graph.java +++ b/src/java/Graph.java @@ -1,4 +1,4 @@ -// $Id: Graph.java,v 1.3 2000-09-26 18:52:13 d3j191 Exp $ +// $Id$ import ptolemy.plot.*; import java.awt.*; import java.util.*; diff --git a/src/java/MakeFile b/src/java/MakeFile index f847b7fa66..99d6382ce0 100644 --- a/src/java/MakeFile +++ b/src/java/MakeFile @@ -1,5 +1,5 @@ # -# $Id: MakeFile,v 1.3 2000-08-08 23:51:09 bjohnson Exp $ +# $Id$ # OBJ_CLASS = nwchem.class nwchem_Main.class nwchem_Filter.class \ diff --git a/src/java/whichjava.java b/src/java/whichjava.java index d08bcf87b3..030050a10e 100644 --- a/src/java/whichjava.java +++ b/src/java/whichjava.java @@ -1,4 +1,4 @@ -// $Id: whichjava.java,v 1.5 2008-01-25 01:15:18 d3j191 Exp $ +// $Id$ public class whichjava implements Runnable { public static void main(String[] args){ diff --git a/src/leps/GNUmakefile b/src/leps/GNUmakefile index 60c798639e..c95968ab49 100644 --- a/src/leps/GNUmakefile +++ b/src/leps/GNUmakefile @@ -1,4 +1,4 @@ -#$Id: GNUmakefile,v 1.8 2009-03-07 19:29:42 bojana Exp $ +#$Id$ OBJ_OPTIMIZE = leps_energy.o leps_gradient.o mc_driver.o mymc_input.o mc_data.o OBJ = leps_energy.o leps_gradient.o md_driver.o md_data.o mymd_input.o mc_driver.o mymc_input.o mc_data.o gasdev.o crossing.o mc_main.o md_set.o mc_init.o urand.o LIBRARY = libleps.a diff --git a/src/leps/mc_data.fh b/src/leps/mc_data.fh index 0def7a6617..46f9e02453 100644 --- a/src/leps/mc_data.fh +++ b/src/leps/mc_data.fh @@ -1,5 +1,5 @@ c -c $Id: mc_data.fh,v 1.3 2009-03-07 19:29:42 bojana Exp $ +c $Id$ c integer mcsteps,natom,mode,gseed double precision temp,stepsize,ratio,seed diff --git a/src/leps/md_data.fh b/src/leps/md_data.fh index a70e36148b..5859300bb7 100644 --- a/src/leps/md_data.fh +++ b/src/leps/md_data.fh @@ -1,5 +1,5 @@ c -c $Id: md_data.fh,v 1.3 2008-09-08 20:08:16 bojana Exp $ +c $Id$ c integer natom integer h_c,i_c diff --git a/src/mcscf/GNUmakefile b/src/mcscf/GNUmakefile index 1d019753f2..05839b3f13 100644 --- a/src/mcscf/GNUmakefile +++ b/src/mcscf/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.26 1997-11-04 09:59:39 d3e129 Exp $ +# $Id$ # SUBDIRS = detci diff --git a/src/mcscf/Graveyard b/src/mcscf/Graveyard index 306667b42b..6f5922c9c5 100644 --- a/src/mcscf/Graveyard +++ b/src/mcscf/Graveyard @@ -1483,7 +1483,7 @@ c c subroutine rohf_hxxx( nbf, nclosed, nopen, lshift, $ g_fcv, g_fpv, g_fcp, g_x ) -C $Id: Graveyard,v 1.3 2003-10-17 22:55:21 carlfahl Exp $ +C $Id$ implicit none c #include "global.fh" diff --git a/src/mcscf/detci/GNUmakefile b/src/mcscf/detci/GNUmakefile index 43a6e25cc3..edca88ce81 100644 --- a/src/mcscf/detci/GNUmakefile +++ b/src/mcscf/detci/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.27 1997-11-04 09:59:53 d3e129 Exp $ +# $Id$ # # intf and aux break on IBM SP xlhpf with optimization ... why? OBJ_OPTIMIZE = \ diff --git a/src/mcscf/detci/cdetci.fh b/src/mcscf/detci/cdetci.fh index 12b3b1ca73..0a3fb8c81a 100644 --- a/src/mcscf/detci/cdetci.fh +++ b/src/mcscf/detci/cdetci.fh @@ -1,5 +1,5 @@ * -* $Id: cdetci.fh,v 1.7 1997-11-04 09:59:48 d3e129 Exp $ +* $Id$ * integer detci_maxtsize ! arc-table size parameter(detci_maxtsize=(detci_maxorb+1)* diff --git a/src/mcscf/detci/cdetcistats.fh b/src/mcscf/detci/cdetcistats.fh index bcd9eb0474..0e6e11ffa8 100644 --- a/src/mcscf/detci/cdetcistats.fh +++ b/src/mcscf/detci/cdetcistats.fh @@ -1,5 +1,5 @@ * -* $Id: cdetcistats.fh,v 1.5 1997-11-04 09:59:48 d3e129 Exp $ +* $Id$ * integer detci_sigma_calls integer detci_density_calls diff --git a/src/mcscf/detci/detci.fh b/src/mcscf/detci/detci.fh index 5f11284940..a17db3d821 100644 --- a/src/mcscf/detci/detci.fh +++ b/src/mcscf/detci/detci.fh @@ -1,5 +1,5 @@ * -* $Id: detci.fh,v 1.2 1997-11-04 09:59:48 d3e129 Exp $ +* $Id$ * integer detci_elv2str integer detci_occ2str diff --git a/src/mcscf/detci/detciP.fh b/src/mcscf/detci/detciP.fh index 04eb782348..07e8dadf5a 100644 --- a/src/mcscf/detci/detciP.fh +++ b/src/mcscf/detci/detciP.fh @@ -1,5 +1,5 @@ * -* $Id: detciP.fh,v 1.5 1997-11-04 09:59:49 d3e129 Exp $ +* $Id$ * integer detci_maxsy ! symmtery integer detci_maxorb ! active diff --git a/src/mcscf/detci/detci_aux.F b/src/mcscf/detci/detci_aux.F index e4a53c7b06..515784621b 100644 --- a/src/mcscf/detci/detci_aux.F +++ b/src/mcscf/detci/detci_aux.F @@ -19,7 +19,7 @@ subroutine detci_vatable( norb, nel, nsym, osym, $ vtxtab, arctab ) * -* $Id: detci_aux.F,v 1.16 2003-10-17 22:55:23 carlfahl Exp $ +* $Id$ * implicit none #include "detciP.fh" diff --git a/src/mcscf/detci/detci_dens.F b/src/mcscf/detci/detci_dens.F index 23c1005f5e..e5f509d4d3 100644 --- a/src/mcscf/detci/detci_dens.F +++ b/src/mcscf/detci/detci_dens.F @@ -2,7 +2,7 @@ subroutine detci_onepdm( norb, nsym, nela, nelb, nstra, nstrb, $ nexa, nexb, osym, exa, exb, map, $ g_civec, g_civect, onepdm ) * -* $Id: detci_dens.F,v 1.13 2004-09-07 06:11:38 windus Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mcscf/detci/detci_diag.F b/src/mcscf/detci/detci_diag.F index 98fda29d2d..43728bb363 100644 --- a/src/mcscf/detci/detci_diag.F +++ b/src/mcscf/detci/detci_diag.F @@ -5,7 +5,7 @@ subroutine detci_dvddiag( mxv, precon, maxiter, tol, oprint, $ g_x, g_x0, g_q, g_s, g_s0, g_sq, e ) * -* $Id: detci_diag.F,v 1.12 2000-10-23 15:52:25 windus Exp $ +* $Id$ * implicit none #include "global.fh" diff --git a/src/mcscf/detci/detci_driver.F b/src/mcscf/detci/detci_driver.F index 5f91b9e668..34e8f63c9a 100644 --- a/src/mcscf/detci/detci_driver.F +++ b/src/mcscf/detci/detci_driver.F @@ -1,6 +1,6 @@ program detci_driver * -* $Id: detci_driver.F,v 1.4 1997-11-04 09:59:51 d3e129 Exp $ +* $Id$ * implicit none #include "detciP.fh" diff --git a/src/mcscf/detci/detci_intf.F b/src/mcscf/detci/detci_intf.F index 4329368bfa..a7548c8571 100644 --- a/src/mcscf/detci/detci_intf.F +++ b/src/mcscf/detci/detci_intf.F @@ -7,7 +7,7 @@ subroutine detci_init( norb, nela, nelb, nsym, symstate, $ osym, iprint, eps, h, g ) * -* $Id: detci_intf.F,v 1.28 2003-10-17 22:55:23 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mcscf/detci/detci_sigma.F b/src/mcscf/detci/detci_sigma.F index 51d47a85ff..a3f9a26a38 100644 --- a/src/mcscf/detci/detci_sigma.F +++ b/src/mcscf/detci/detci_sigma.F @@ -10,7 +10,7 @@ subroutine detci_sigmaaa( norb, nsym, nela, nelb, nstra, nstrb, $ ataba, atabb, ntij, nsblk, $ h, g, f, g_civec, g_sigma ) * -* $Id: detci_sigma.F,v 1.20 2005-06-03 21:46:11 bert Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mcscf/detci/detci_spin.F b/src/mcscf/detci/detci_spin.F index f3ab44158b..c05f06af67 100644 --- a/src/mcscf/detci/detci_spin.F +++ b/src/mcscf/detci/detci_spin.F @@ -9,7 +9,7 @@ subroutine detci_spadpt( norb, nsym, nela, nelb, nstra, nstrb, $ osym, ataba, atabb, nexa, nexb, $ exa, exb, g_civec, g_pvec ) * -* $Id: detci_spin.F,v 1.8 2002-01-30 01:11:34 windus Exp $ +* $Id$ * implicit none #include "global.fh" diff --git a/src/mcscf/detci/symmdef.fh b/src/mcscf/detci/symmdef.fh index d4ac121428..1d6ed41c5c 100644 --- a/src/mcscf/detci/symmdef.fh +++ b/src/mcscf/detci/symmdef.fh @@ -1,4 +1,4 @@ * -* $Id: symmdef.fh,v 1.2 1997-11-04 09:59:53 d3e129 Exp $ +* $Id$ * integer MULX, imul, jmul diff --git a/src/mcscf/detci/symmmul.fh b/src/mcscf/detci/symmmul.fh index cc7d34eec7..8f1e8ae91d 100644 --- a/src/mcscf/detci/symmmul.fh +++ b/src/mcscf/detci/symmmul.fh @@ -1,5 +1,5 @@ * -* $Id: symmmul.fh,v 1.3 1997-11-04 09:59:53 d3e129 Exp $ +* $Id$ * c c Irrep direct product using EOR diff --git a/src/mcscf/hmat.F b/src/mcscf/hmat.F index 1117bfde48..e0de901506 100644 --- a/src/mcscf/hmat.F +++ b/src/mcscf/hmat.F @@ -9,7 +9,7 @@ subroutine hmat( nbf, nclosed, nact, orlen, dm1, dm2, $ g_ifock, g_afock, g_gfock, $ g_coul, g_exch, h ) * -* $Id: hmat.F,v 1.6 1997-11-04 09:59:38 d3e129 Exp $ +* $Id$ * implicit none integer nbf, nclosed, nact, orlen diff --git a/src/mcscf/linesrch.F b/src/mcscf/linesrch.F index 0afdde6e5b..bd716b67fb 100644 --- a/src/mcscf/linesrch.F +++ b/src/mcscf/linesrch.F @@ -1,6 +1,6 @@ double precision function linesrch(n,x,f,g) * -* $Id: linesrch.F,v 1.5 1997-11-04 09:59:39 d3e129 Exp $ +* $Id$ * implicit none integer n diff --git a/src/mcscf/mcscf.F b/src/mcscf/mcscf.F index 603a0f4611..9068e08633 100644 --- a/src/mcscf/mcscf.F +++ b/src/mcscf/mcscf.F @@ -1,6 +1,6 @@ logical function mcscf( rtdb ) * -* $Id: mcscf.F,v 1.64 2003-10-17 22:55:21 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mcscf/mcscf_aux.F b/src/mcscf/mcscf_aux.F index 6569740732..fc07c13190 100644 --- a/src/mcscf/mcscf_aux.F +++ b/src/mcscf/mcscf_aux.F @@ -680,7 +680,7 @@ subroutine mcscf_movecs_write( rtdb, basis, nbf, occ, c -c $Id: mcscf_aux.F,v 1.32 2003-10-17 22:55:21 carlfahl Exp $ +c $Id$ c c c Return the gradient vector from the generalized diff --git a/src/mcscf/mcscf_b.F b/src/mcscf/mcscf_b.F index 2aa43da57d..c5cec9d3f9 100644 --- a/src/mcscf/mcscf_b.F +++ b/src/mcscf/mcscf_b.F @@ -12,7 +12,7 @@ subroutine mcscf_b( geom, basis, nbf, nclosed, nact, orbsym, $ dm1, dm2, oskel, tol2e, bshift, g_vecs0, $ g_ifock, g_afock, g_coul, g_exch, g_u, g_b ) * -* $Id: mcscf_b.F,v 1.10 2003-10-17 22:55:21 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mcscf/mcscf_ci.F b/src/mcscf/mcscf_ci.F index de6b2f45d1..b18b35c05d 100644 --- a/src/mcscf/mcscf_ci.F +++ b/src/mcscf/mcscf_ci.F @@ -6,7 +6,7 @@ subroutine mcscf_cisolve( rtdb, geom, basis, nbf, nclosed, $ g_coul, citol, ociread, oprint, $ ociprint, dm1, dm2, eci ) * -* $Id: mcscf_ci.F,v 1.24 2003-10-17 22:55:21 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mcscf/mcscf_debug.F b/src/mcscf/mcscf_debug.F index b5c7d8ece1..75c221195c 100644 --- a/src/mcscf/mcscf_debug.F +++ b/src/mcscf/mcscf_debug.F @@ -1,6 +1,6 @@ subroutine hv_write(lun,ix,len,x) * -* $Id: mcscf_debug.F,v 1.13 2003-10-17 22:55:21 carlfahl Exp $ +* $Id$ * implicit none integer lun, ix, len diff --git a/src/mcscf/mcscf_etr.F b/src/mcscf/mcscf_etr.F index e24a61bdee..62d3444362 100644 --- a/src/mcscf/mcscf_etr.F +++ b/src/mcscf/mcscf_etr.F @@ -7,7 +7,7 @@ subroutine mcscf_etrace( geom, basis, nbf, nclosed, nact, $ oact, oskel, tol2e, dm1, dm2, $ g_movecs, g_coul, eone, etwo, ecore ) * -* $Id: mcscf_etr.F,v 1.8 2003-10-17 22:55:21 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mcscf/mcscf_fcore.F b/src/mcscf/mcscf_fcore.F index 1f603a173f..d0e5ec0a17 100644 --- a/src/mcscf/mcscf_fcore.F +++ b/src/mcscf/mcscf_fcore.F @@ -13,7 +13,7 @@ subroutine mcscf_fcore( basis, nbf, nclosed, nact, $ g_movecs, g_coul, g_exch, g_fcore ) * -* $Id: mcscf_fcore.F,v 1.8 2003-10-17 22:55:21 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mcscf/mcscf_fdiff.F b/src/mcscf/mcscf_fdiff.F index c316f0ceb2..839f6e8bdf 100644 --- a/src/mcscf/mcscf_fdiff.F +++ b/src/mcscf/mcscf_fdiff.F @@ -6,7 +6,7 @@ subroutine mcscf_fdiff_grad( geom, basis, nbf, nclosed, nact, $ oskel, tol2e, dm1, dm2, g_movecs, $ g_coul, g_grad ) * -* $Id: mcscf_fdiff.F,v 1.11 2003-10-17 22:55:21 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mcscf/mcscf_fock.F b/src/mcscf/mcscf_fock.F index 9f182e7720..efb192fb7f 100644 --- a/src/mcscf/mcscf_fock.F +++ b/src/mcscf/mcscf_fock.F @@ -1,6 +1,6 @@ c c %A% -c $Id: mcscf_fock.F,v 1.18 2003-10-17 22:55:21 carlfahl Exp $ +c $Id$ c c Compute the MCSCF MO-Fock matrices; c inactive, active and generalized diff --git a/src/mcscf/mcscf_hdiag.F b/src/mcscf/mcscf_hdiag.F index e6a2cc6c66..c2ed1aaf4f 100644 --- a/src/mcscf/mcscf_hdiag.F +++ b/src/mcscf/mcscf_hdiag.F @@ -2,7 +2,7 @@ subroutine mcscf_hdiag( nbf, nclosed, nact, pflg, dm1, dm2, $ g_coul, g_exch, g_ifock, $ g_afock, g_gfock, g_hdiag ) * -* $Id: mcscf_hdiag.F,v 1.8 2003-10-17 22:55:21 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mcscf/mcscf_input.F b/src/mcscf/mcscf_input.F index e37f72b7c3..add9b622c5 100644 --- a/src/mcscf/mcscf_input.F +++ b/src/mcscf/mcscf_input.F @@ -1,6 +1,6 @@ subroutine mcscf_input(rtdb) c -c $Id: mcscf_input.F,v 1.12 2004-09-08 23:56:41 edo Exp $ +c $Id$ c implicit none #include "errquit.fh" diff --git a/src/mcscf/mcscf_ohv.F b/src/mcscf/mcscf_ohv.F index 04f6820157..f5b1bf9c04 100644 --- a/src/mcscf/mcscf_ohv.F +++ b/src/mcscf/mcscf_ohv.F @@ -3,7 +3,7 @@ subroutine mcscf_hessv( geom, basis, nbf, nclosed, nact, $ g_movecs, g_ifock, g_afock, g_gfock, $ g_coul, g_exch, g_x, g_ax ) * -* $Id: mcscf_ohv.F,v 1.5 2003-10-17 22:55:21 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mcscf/mcscf_ohv1e.F b/src/mcscf/mcscf_ohv1e.F index 77bb9b0ebf..bfa51f8495 100644 --- a/src/mcscf/mcscf_ohv1e.F +++ b/src/mcscf/mcscf_ohv1e.F @@ -10,7 +10,7 @@ subroutine mcscf_hessv_1e( geom, basis, nbf, nclosed, nact, $ g_gfock, g_tmp1, g_tmp2, g_tmp3, $ g_x, g_ax ) * -* $Id: mcscf_ohv1e.F,v 1.5 2003-10-17 22:55:21 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mcscf/mcscf_ohv2e.F b/src/mcscf/mcscf_ohv2e.F index 83d62f8916..6588ac9c88 100644 --- a/src/mcscf/mcscf_ohv2e.F +++ b/src/mcscf/mcscf_ohv2e.F @@ -1,5 +1,5 @@ c -c $Id: mcscf_ohv2e.F,v 1.4 1996-06-17 18:59:06 rg240 Exp $ +c $Id$ c c Return the MCSCF 2e Hessian-vector product c diff --git a/src/mcscf/mcscf_ohvao.F b/src/mcscf/mcscf_ohvao.F index 2de1c28584..539467a131 100644 --- a/src/mcscf/mcscf_ohvao.F +++ b/src/mcscf/mcscf_ohvao.F @@ -1,5 +1,5 @@ * -* $Id: mcscf_ohvao.F,v 1.9 2003-10-17 22:55:21 carlfahl Exp $ +* $Id$ * subroutine mcscf_hessv_2e_ao( geom, basis, nbf, nclosed, nact, $ tol2e, oskel, dm1, g_movecs, diff --git a/src/mcscf/mcscf_ohvmo.F b/src/mcscf/mcscf_ohvmo.F index dabe80e824..fdca2689ac 100644 --- a/src/mcscf/mcscf_ohvmo.F +++ b/src/mcscf/mcscf_ohvmo.F @@ -2,7 +2,7 @@ subroutine mcscf_hessv_2e_mo( nbf, nclosed, nact, $ dm2, g_coul, g_exch, $ g_x, g_ax ) * -* $Id: mcscf_ohvmo.F,v 1.5 2003-10-17 22:55:21 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mcscf/mcscf_orb.F b/src/mcscf/mcscf_orb.F index c7cb158eaf..543610230b 100644 --- a/src/mcscf/mcscf_orb.F +++ b/src/mcscf/mcscf_orb.F @@ -1,4 +1,4 @@ -c $Id: mcscf_orb.F,v 1.43 2003-10-17 22:55:21 carlfahl Exp $ +c $Id$ c c c Orbital MCSCF macroiteration diff --git a/src/mcscf/mcscf_prcnd.F b/src/mcscf/mcscf_prcnd.F index 361ec45670..ce4f6d050b 100644 --- a/src/mcscf/mcscf_prcnd.F +++ b/src/mcscf/mcscf_prcnd.F @@ -6,7 +6,7 @@ subroutine mcscf_precond( geom, basis, nclosed, nact, $ g_ifock, g_afock, g_gfock, $ g_hdiag, g_rhs, g_soln, acc ) * -* $Id: mcscf_prcnd.F,v 1.12 2003-10-17 22:55:21 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mcscf/mcscfprof.fh b/src/mcscf/mcscfprof.fh index 478eeb874e..7b43220445 100644 --- a/src/mcscf/mcscfprof.fh +++ b/src/mcscf/mcscfprof.fh @@ -1,5 +1,5 @@ * -* $Id: mcscfprof.fh,v 1.2 1997-11-04 09:59:46 d3e129 Exp $ +* $Id$ * c c Common block for MCSCF pstat handles diff --git a/src/moints/GNUmakefile b/src/moints/GNUmakefile index f415a7ed01..278ebb9d18 100644 --- a/src/moints/GNUmakefile +++ b/src/moints/GNUmakefile @@ -1,4 +1,4 @@ -#$Id: GNUmakefile,v 1.72 2003-01-24 20:46:25 edo Exp $ +#$Id$ include ../config/makefile.h OBJ = atwtest.o \ diff --git a/src/moints/atwtest.F b/src/moints/atwtest.F index 3bfbac1b8c..797ae32e86 100644 --- a/src/moints/atwtest.F +++ b/src/moints/atwtest.F @@ -1,5 +1,5 @@ logical function atwtest(rtdb) -C$Id: atwtest.F,v 1.7 2003-10-17 22:55:26 carlfahl Exp $ +C$Id$ implicit none #include "errquit.fh" #include "mafdecls.fh" diff --git a/src/moints/cmointsbuf.fh b/src/moints/cmointsbuf.fh index d0642d12db..d0c392f2f6 100644 --- a/src/moints/cmointsbuf.fh +++ b/src/moints/cmointsbuf.fh @@ -1,5 +1,5 @@ * -* $Id: cmointsbuf.fh,v 1.2 1997-11-04 09:58:00 d3e129 Exp $ +* $Id$ * integer buflen parameter (buflen = 1024) ! MUST MATCH MAIN PROGRAM diff --git a/src/moints/cmointsmoao.fh b/src/moints/cmointsmoao.fh index db1570a215..b4b13eaf29 100644 --- a/src/moints/cmointsmoao.fh +++ b/src/moints/cmointsmoao.fh @@ -1,5 +1,5 @@ * -* $Id: cmointsmoao.fh,v 1.7 1997-11-04 09:58:01 d3e129 Exp $ +* $Id$ * integer moao_ipass ! count of passes double precision moao_fptr ! current file pointer diff --git a/src/moints/crayio.c b/src/moints/crayio.c index 34fff529f1..f00d3a6d21 100644 --- a/src/moints/crayio.c +++ b/src/moints/crayio.c @@ -1,5 +1,5 @@ /* - $Id: crayio.c,v 1.3 1997-11-04 09:58:01 d3e129 Exp $ + $Id$ */ /* Simulate the cray 64 bit word addressable I/O routines and diff --git a/src/moints/direct_mp2.F b/src/moints/direct_mp2.F index effa0ff8e6..addb37dc7a 100644 --- a/src/moints/direct_mp2.F +++ b/src/moints/direct_mp2.F @@ -1,5 +1,5 @@ logical function direct_mp2(rtdb) -C$Id: direct_mp2.F,v 1.52 2009-02-07 20:59:19 jhammond Exp $ +C$Id$ implicit none #include "errquit.fh" #include "mafdecls.fh" diff --git a/src/moints/get_JKelt.F b/src/moints/get_JKelt.F index ad4a3f9d2e..ffa0248ca0 100644 --- a/src/moints/get_JKelt.F +++ b/src/moints/get_JKelt.F @@ -1,5 +1,5 @@ double precision function get_JKelt( g_a, nbf, i, j, a, b ) -C$Id: get_JKelt.F,v 1.2 1995-02-02 23:18:42 d3g681 Exp $ +C$Id$ implicit none #include "global.fh" integer g_a diff --git a/src/moints/graveyard b/src/moints/graveyard index 8fc5f836e7..1ca895ea6a 100644 --- a/src/moints/graveyard +++ b/src/moints/graveyard @@ -2371,7 +2371,7 @@ c returned in ordered vector c subroutine brdcst_ivec( value, v ) -C$Id: graveyard,v 1.6 1997-12-08 19:47:07 d3g681 Exp $ +C$Id$ implicit none integer intlen #ifdef KSR diff --git a/src/moints/mointdriver.F b/src/moints/mointdriver.F index 98391371de..f6c911f4d5 100644 --- a/src/moints/mointdriver.F +++ b/src/moints/mointdriver.F @@ -1,5 +1,5 @@ subroutine moint_driver( rtdb, geom, basis, movecs_in ) -C$Id: mointdriver.F,v 1.70 2003-10-17 22:55:26 carlfahl Exp $ +C$Id$ implicit none #include "errquit.fh" #include "mafdecls.fh" diff --git a/src/moints/moints_1e.F b/src/moints/moints_1e.F index 7a44eb2375..b936388954 100644 --- a/src/moints/moints_1e.F +++ b/src/moints/moints_1e.F @@ -1,6 +1,6 @@ subroutine moints_1e( nbf, basis, g_movecs, g_onel ) * -* $Id: moints_1e.F,v 1.2 1997-11-04 09:58:01 d3e129 Exp $ +* $Id$ * implicit none #include "mafdecls.fh" diff --git a/src/moints/moints_2x.F b/src/moints/moints_2x.F index d9d0ed47a5..0b4f350507 100644 --- a/src/moints/moints_2x.F +++ b/src/moints/moints_2x.F @@ -1,6 +1,6 @@ c c -c $Id: moints_2x.F,v 1.38 2005-01-05 01:28:34 edo Exp $ +c $Id$ c c c This routine returns the Coulomb and exchange integral diff --git a/src/moints/moints_6x.F b/src/moints/moints_6x.F index 5f7719eb79..57d85603f8 100644 --- a/src/moints/moints_6x.F +++ b/src/moints/moints_6x.F @@ -1,6 +1,6 @@ c c -c $Id: moints_6x.F,v 1.27 2003-10-17 22:55:26 carlfahl Exp $ +c $Id$ c c c This routine returns the Coulomb and exchange integral diff --git a/src/moints/moints_aodisk.F b/src/moints/moints_aodisk.F index 776c790712..44205508a4 100644 --- a/src/moints/moints_aodisk.F +++ b/src/moints/moints_aodisk.F @@ -1,5 +1,5 @@ * -* $Id: moints_aodisk.F,v 1.23 2004-09-07 06:11:41 windus Exp $ +* $Id$ * c c Set of routines to cache AO integrals for the 4-index diff --git a/src/moints/moints_aux2.F b/src/moints/moints_aux2.F index 16df9a1fb3..dbfb68218f 100644 --- a/src/moints/moints_aux2.F +++ b/src/moints/moints_aux2.F @@ -223,7 +223,7 @@ subroutine moints_gblk_sq_old( basis, ish, jsh, kshlo, kshhi, $ ibflo, ibfhi, jbflo, jbfhi, $ kblo, kbhi, lblo, lbhi, $ ssbb, osym ) -C $Id: moints_aux2.F,v 1.38 2005-01-14 22:08:51 edo Exp $ +C $Id$ implicit none #include "bas.fh" #include "schwarz.fh" @@ -568,7 +568,7 @@ subroutine moints_gblk_sq( basis, ish, jsh, kshlo, kshhi, $ ibflo, ibfhi, jbflo, jbfhi, $ kblo, kbhi, lblo, lbhi, $ ssbb ) -C $Id: moints_aux2.F,v 1.38 2005-01-14 22:08:51 edo Exp $ +C $Id$ implicit none #include "bas.fh" #include "schwarz.fh" @@ -1258,7 +1258,7 @@ subroutine upper2square( n, a, b ) logical function ga_check_JKblocked(g_a,n1,n2,jlo,jhi) -C$Id: moints_aux2.F,v 1.38 2005-01-14 22:08:51 edo Exp $ +C$Id$ implicit none #include "global.fh" #include "mafdecls.fh" @@ -1302,7 +1302,7 @@ logical function ga_check_JKblocked(g_a,n1,n2,jlo,jhi) c$$$ integer function ga_create_Jblocked(noper,nbf,label) -c$$$C$Id: moints_aux2.F,v 1.38 2005-01-14 22:08:51 edo Exp $ +c$$$C$Id$ c$$$ implicit none c$$$#include "errquit.fh" c$$$#include "global.fh" diff --git a/src/moints/moints_ccsd.F b/src/moints/moints_ccsd.F index 111aea4ab7..2b02549fe5 100644 --- a/src/moints/moints_ccsd.F +++ b/src/moints/moints_ccsd.F @@ -5,7 +5,7 @@ subroutine moints_build_2xz( basis, occ_start, mo1_lo, mo1_hi, $ g_int1t, $ blen ) * -* $Id: moints_ccsd.F,v 1.13 2004-09-07 06:11:41 windus Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/moints/moints_cutil.c b/src/moints/moints_cutil.c index 8915612ea7..2b2da1af7b 100644 --- a/src/moints/moints_cutil.c +++ b/src/moints/moints_cutil.c @@ -1,5 +1,5 @@ /*---------------------------------------------------------*\ -$Id: moints_cutil.c,v 1.9 2000-05-09 18:55:11 edo Exp $ +$Id$ \*---------------------------------------------------------*/ #include diff --git a/src/moints/moints_dbg.F b/src/moints/moints_dbg.F index e1c8bd28ad..05ebb504ae 100644 --- a/src/moints/moints_dbg.F +++ b/src/moints/moints_dbg.F @@ -1,6 +1,6 @@ subroutine moints_op_print(ostart,olo,ohi,nbf,g_a) * -* $Id: moints_dbg.F,v 1.13 1997-11-04 09:58:03 d3e129 Exp $ +* $Id$ * implicit none #include "global.fh" diff --git a/src/moints/moints_full.F b/src/moints/moints_full.F index b450206800..3cd86cde46 100644 --- a/src/moints/moints_full.F +++ b/src/moints/moints_full.F @@ -1,5 +1,5 @@ logical function moints_full(rtdb) -C $Id: moints_full.F,v 1.29 2003-10-17 22:55:26 carlfahl Exp $ +C $Id$ implicit none #include "errquit.fh" #include "mafdecls.fh" diff --git a/src/moints/moints_gsh1.F b/src/moints/moints_gsh1.F index 3b5d946502..00234dc305 100644 --- a/src/moints/moints_gsh1.F +++ b/src/moints/moints_gsh1.F @@ -1,5 +1,5 @@ integer function moints_numgr( basis, blocklen ) -C$Id: moints_gsh1.F,v 1.12 2003-10-17 22:55:26 carlfahl Exp $ +C$Id$ implicit none #include "errquit.fh" #include "bas.fh" diff --git a/src/moints/moints_mem.F b/src/moints/moints_mem.F index c736c3d481..ce8c501306 100644 --- a/src/moints/moints_mem.F +++ b/src/moints/moints_mem.F @@ -6,7 +6,7 @@ c integer function moints_numoper( basis, algo, nbf, nocc, $ nvir, blen, oprint ) -C$Id: moints_mem.F,v 1.7 2003-11-15 00:25:14 bert Exp $ +C$Id$ implicit none #include "errquit.fh" #include "mafdecls.fh" diff --git a/src/moints/moints_mp2.F b/src/moints/moints_mp2.F index 1cb69d137d..a7f81e7812 100644 --- a/src/moints/moints_mp2.F +++ b/src/moints/moints_mp2.F @@ -5,7 +5,7 @@ c c c$$$ subroutine moints_mp2_eval(nocc,nvir,orbe,g_k,emp2,epair) -c$$$C$Id: moints_mp2.F,v 1.30 2005-01-05 01:28:34 edo Exp $ +c$$$C$Id$ c$$$ implicit none c$$$#include "errquit.fh" c$$$#include "global.fh" diff --git a/src/moints/moints_semi.F b/src/moints/moints_semi.F index c2b0828a2c..48e2a72a04 100644 --- a/src/moints/moints_semi.F +++ b/src/moints/moints_semi.F @@ -2,7 +2,7 @@ #define NEW_SPARSE #endif c -c $Id: moints_semi.F,v 1.64 2008-08-14 16:19:05 bert Exp $ +c $Id$ c c Generates and writes out half-transformed c exchange integrals for some multipassed diff --git a/src/moints/moints_stats.F b/src/moints/moints_stats.F index d35ea80ba8..0371c74770 100644 --- a/src/moints/moints_stats.F +++ b/src/moints/moints_stats.F @@ -1,5 +1,5 @@ subroutine moints_stats_print( algo ) -C$Id: moints_stats.F,v 1.7 1997-10-14 17:31:53 rg240 Exp $ +C$Id$ implicit none #include "msgids.fh" #include "global.fh" diff --git a/src/moints/moints_stats.fh b/src/moints/moints_stats.fh index 883ff8a384..21f70b0c88 100644 --- a/src/moints/moints_stats.fh +++ b/src/moints/moints_stats.fh @@ -1,5 +1,5 @@ c -C$Id: moints_stats.fh,v 1.5 1997-08-08 07:15:35 rg240 Exp $ +C$Id$ c c double precision mi_npass diff --git a/src/moints/mointsmoaodef.fh b/src/moints/mointsmoaodef.fh index 0020a00dce..bf6eb1e2ea 100644 --- a/src/moints/mointsmoaodef.fh +++ b/src/moints/mointsmoaodef.fh @@ -1,5 +1,5 @@ * -* $Id: mointsmoaodef.fh,v 1.4 1997-11-04 09:58:04 d3e129 Exp $ +* $Id$ * integer MOINTS_IOBUFLEN integer MOINTS_NBLKINFO diff --git a/src/moints/sifs0.F b/src/moints/sifs0.F index 8b028ef04b..df47d40bdf 100644 --- a/src/moints/sifs0.F +++ b/src/moints/sifs0.F @@ -1,5 +1,5 @@ * -* $Id: sifs0.F,v 1.1 2000-11-02 23:53:40 edo Exp $ +* $Id$ * *colib8.f *colib part=8 of 9. SIFS library routines. diff --git a/src/mp2_grad/GNUmakefile b/src/mp2_grad/GNUmakefile index 6c6177a0b3..bc651ddf90 100644 --- a/src/mp2_grad/GNUmakefile +++ b/src/mp2_grad/GNUmakefile @@ -1,4 +1,4 @@ -#$Id: GNUmakefile,v 1.36 2002-05-23 00:48:29 edo Exp $ +#$Id$ include ../config/makefile.h diff --git a/src/mp2_grad/MakeFile b/src/mp2_grad/MakeFile index 7159078737..906de9a454 100644 --- a/src/mp2_grad/MakeFile +++ b/src/mp2_grad/MakeFile @@ -1,5 +1,5 @@ # -# $Id: MakeFile,v 1.2 2000-07-18 18:24:27 edo Exp $ +# $Id$ # OBJ_OPTIMIZE = $(OBJDIR)\mp2_back_transform.obj \ diff --git a/src/mp2_grad/cmp2ps.fh b/src/mp2_grad/cmp2ps.fh index 1078fb642c..f9ab8ebaad 100644 --- a/src/mp2_grad/cmp2ps.fh +++ b/src/mp2_grad/cmp2ps.fh @@ -1,5 +1,5 @@ * -* $Id: cmp2ps.fh,v 1.2 1997-11-04 09:57:04 d3e129 Exp $ +* $Id$ * c c Pstat handles for the MP2 diff --git a/src/mp2_grad/mp2_back_transform.F b/src/mp2_grad/mp2_back_transform.F index 8f5a51da23..c079542789 100644 --- a/src/mp2_grad/mp2_back_transform.F +++ b/src/mp2_grad/mp2_back_transform.F @@ -12,7 +12,7 @@ subroutine mp2_nonsep_uhf( rtdb, geom, $ nva_lo_local, nva_hi_local, $ tunita, tunitb, grad) * -* $Id: mp2_back_transform.F,v 1.29 2003-10-17 22:55:29 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mp2_grad/mp2_energy.F b/src/mp2_grad/mp2_energy.F index 79721aa8ef..a044103dbd 100644 --- a/src/mp2_grad/mp2_energy.F +++ b/src/mp2_grad/mp2_energy.F @@ -1,6 +1,6 @@ subroutine mp2_energy(rtdb,geom,basis,movecs,task) * -* $Id: mp2_energy.F,v 1.59 2009-02-04 01:18:19 niri Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mp2_grad/mp2_grad.F b/src/mp2_grad/mp2_grad.F index c10c8c93de..ce5d3e965c 100644 --- a/src/mp2_grad/mp2_grad.F +++ b/src/mp2_grad/mp2_grad.F @@ -1,6 +1,6 @@ logical function semi_dir_mp2(rtdb) * -* $Id: mp2_grad.F,v 1.27 2009-02-04 01:18:19 niri Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mp2_grad/mp2_grad_doit.F b/src/mp2_grad/mp2_grad_doit.F index dd0d16ee1d..955ba66ed7 100644 --- a/src/mp2_grad/mp2_grad_doit.F +++ b/src/mp2_grad/mp2_grad_doit.F @@ -14,7 +14,7 @@ subroutine mp2_grad_uhf(rtdb,g_vecs_a,noa_lo,noa_hi,nva_lo,nva_hi, $ g_wai_a,g_wai_b,g_lai_a,g_lai_b, $ grad,scftype) * -* $Id: mp2_grad_doit.F,v 1.49 2009-04-01 15:54:36 jhammond Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mp2_grad/mp2_grad_utils.F b/src/mp2_grad/mp2_grad_utils.F index ea7eec71bb..3c31015739 100644 --- a/src/mp2_grad/mp2_grad_utils.F +++ b/src/mp2_grad/mp2_grad_utils.F @@ -1,6 +1,6 @@ subroutine mp2_zero_forces(force,oactive,nat) * -* $Id: mp2_grad_utils.F,v 1.2 1997-03-27 08:49:41 d3e129 Exp $ +* $Id$ * implicit none integer nat,i diff --git a/src/mp2_grad/mp2_input.F b/src/mp2_grad/mp2_input.F index 87deb12ed0..d7b197f8e2 100644 --- a/src/mp2_grad/mp2_input.F +++ b/src/mp2_grad/mp2_input.F @@ -1,6 +1,6 @@ subroutine mp2_input(rtdb) * -* $Id: mp2_input.F,v 1.9 2004-04-22 06:00:22 edo Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mp2_grad/mp2_lai_fock_uhf.F b/src/mp2_grad/mp2_lai_fock_uhf.F index 4383c941db..67cbbe3162 100644 --- a/src/mp2_grad/mp2_lai_fock_uhf.F +++ b/src/mp2_grad/mp2_lai_fock_uhf.F @@ -52,7 +52,7 @@ subroutine mp2_lai_fock_uhf(geom, basis, $ no_a, no_b, nv_a, nv_b, $ g_lai_a, g_lai_b, rtdb, tol2e) * -* $Id: mp2_lai_fock_uhf.F,v 1.17 2003-10-17 22:55:29 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mp2_grad/mp2_lai_uhf.F b/src/mp2_grad/mp2_lai_uhf.F index 6345359e9e..10ae12b439 100644 --- a/src/mp2_grad/mp2_lai_uhf.F +++ b/src/mp2_grad/mp2_lai_uhf.F @@ -13,7 +13,7 @@ subroutine mp2_lai_uhf(nva_lo,nva_hi,sym_lo_oa,sym_hi_oa, $ g_lai_a,g_lai_b, $ g_wai_a,g_wai_b,g_liy_a, g_liy_b,kunit) * -* $Id: mp2_lai_uhf.F,v 1.11 1997-10-15 19:20:24 d3g681 Exp $ +* $Id$ * implicit none #include "global.fh" diff --git a/src/mp2_grad/mp2_make_cphf_rhs.F b/src/mp2_grad/mp2_make_cphf_rhs.F index 7a8fd95211..8a1f8bda46 100644 --- a/src/mp2_grad/mp2_make_cphf_rhs.F +++ b/src/mp2_grad/mp2_make_cphf_rhs.F @@ -5,7 +5,7 @@ subroutine mp2_make_cphf_rhs(scftype,transform,basis,nmo,nbf, $ sym_lo_ob,sym_hi_ob,sym_lo_vb,sym_hi_vb, $ g_vecs_a,g_vecs_b,g_lai_a,g_lai_b,g_rhs) * -* $Id: mp2_make_cphf_rhs.F,v 1.8 2003-10-17 22:55:29 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mp2_grad/mp2_make_dip_mom.F b/src/mp2_grad/mp2_make_dip_mom.F index 46521c84c7..8d14745cf0 100644 --- a/src/mp2_grad/mp2_make_dip_mom.F +++ b/src/mp2_grad/mp2_make_dip_mom.F @@ -1,7 +1,7 @@ subroutine mp2_make_dip_mom(rtdb, basis, nbf, nmo, noa, nob, $ g_p_tot_a, g_p_tot_b, g_vecs_a, g_vecs_b) * -* $Id: mp2_make_dip_mom.F,v 1.10 2003-10-17 22:55:29 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mp2_grad/mp2_make_nos.F b/src/mp2_grad/mp2_make_nos.F index 6cd4c8316a..30744cb597 100644 --- a/src/mp2_grad/mp2_make_nos.F +++ b/src/mp2_grad/mp2_make_nos.F @@ -2,7 +2,7 @@ subroutine mp2_make_nos(rtdb, basis, nbf, nmo, noa, nob, $ g_p_tot_a, g_p_tot_b, g_vecs_a, g_vecs_b, scftype, nfrozen, $ title) * -* $Id: mp2_make_nos.F,v 1.5 2003-10-17 22:55:29 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mp2_grad/mp2_make_piy.F b/src/mp2_grad/mp2_make_piy.F index 285f945338..a687ea12bd 100644 --- a/src/mp2_grad/mp2_make_piy.F +++ b/src/mp2_grad/mp2_make_piy.F @@ -1,6 +1,6 @@ subroutine mp2_make_piy(no_lo, no_hi, g_pij, g_liy, evals) * -* $Id: mp2_make_piy.F,v 1.2 1997-11-04 09:57:05 d3e129 Exp $ +* $Id$ * implicit none #include "global.fh" diff --git a/src/mp2_grad/mp2_make_tot_dens.F b/src/mp2_grad/mp2_make_tot_dens.F index 88eb07dfc8..dcdff3e219 100644 --- a/src/mp2_grad/mp2_make_tot_dens.F +++ b/src/mp2_grad/mp2_make_tot_dens.F @@ -3,7 +3,7 @@ subroutine mp2_make_tot_dens(g_p_ij_a,g_p_ij_b,g_p_ab_a, $ nmo,map_a, map_b, $ g_vecs_a,g_vecs_b,basis,scftype) * -* $Id: mp2_make_tot_dens.F,v 1.13 2003-10-17 22:55:29 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mp2_grad/mp2_make_tot_wdens.F b/src/mp2_grad/mp2_make_tot_wdens.F index d19edc0475..a59215b2e2 100644 --- a/src/mp2_grad/mp2_make_tot_wdens.F +++ b/src/mp2_grad/mp2_make_tot_wdens.F @@ -4,7 +4,7 @@ subroutine mp2_make_tot_wdens(g_w_ij_a,g_w_ij_b,g_w_ab_a, $ nvb,nbf,nmo,g_vecs_a,g_vecs_b, $ evals_a, evals_b, g_p_tot_a, g_p_tot_b) * -* $Id: mp2_make_tot_wdens.F,v 1.8 2003-10-17 22:55:29 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mp2_grad/mp2_make_tuhf.F b/src/mp2_grad/mp2_make_tuhf.F index ac17672461..472979f719 100644 --- a/src/mp2_grad/mp2_make_tuhf.F +++ b/src/mp2_grad/mp2_make_tuhf.F @@ -7,7 +7,7 @@ subroutine mp2_make_tuhf(nbf,noa_lo,noa_hi,nva_lo,nva_hi, $ ioff,nnbf,indx_v,nva_lo_local,nva_hi_local, $ e2,esing,etrip,task,tunita,tunitb,kunit) * -* $Id: mp2_make_tuhf.F,v 1.17 2003-10-17 22:55:29 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mp2_grad/mp2_memory.F b/src/mp2_grad/mp2_memory.F index b19a65db2b..d5a91b6604 100644 --- a/src/mp2_grad/mp2_memory.F +++ b/src/mp2_grad/mp2_memory.F @@ -2,7 +2,7 @@ subroutine mp2_memory(basis,geom,rtdb,tol2e,oskel, $ nbf,noa,nva,nob,nvb, $ batch_size,max_ma,max_ga,max_file,task,scftype) * -* $Id: mp2_memory.F,v 1.22 2003-10-17 22:55:29 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mp2_grad/mp2_pijab_uhf.F b/src/mp2_grad/mp2_pijab_uhf.F index 3fe7ddc089..0b290be0d3 100644 --- a/src/mp2_grad/mp2_pijab_uhf.F +++ b/src/mp2_grad/mp2_pijab_uhf.F @@ -6,7 +6,7 @@ subroutine mp2_pijab_uhf(nva_lo,nva_hi,sym_lo_oa,sym_hi_oa, $ tunita,tunitb,eval_a,eval_b, $ g_p_ij_a,g_p_ij_b,g_p_ab_a,g_p_ab_b) * -* $Id: mp2_pijab_uhf.F,v 1.13 2003-10-17 22:55:29 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mp2_grad/mp2_pstat.F b/src/mp2_grad/mp2_pstat.F index 665a2e8e44..fbd884c72a 100644 --- a/src/mp2_grad/mp2_pstat.F +++ b/src/mp2_grad/mp2_pstat.F @@ -1,6 +1,6 @@ subroutine mp2_pstat_init() * -* $Id: mp2_pstat.F,v 1.3 2003-10-17 22:55:29 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mp2_grad/mp2_read_tiajb.F b/src/mp2_grad/mp2_read_tiajb.F index 1ad4a5f8d1..bb3ca7246c 100644 --- a/src/mp2_grad/mp2_read_tiajb.F +++ b/src/mp2_grad/mp2_read_tiajb.F @@ -1,7 +1,7 @@ subroutine mp2_read_tijab(nv_lo, nv_hi, irs, symia, $ num_o, sym_hi_o, sym_lo_o, tunit, tunitptr, t) * -* $Id: mp2_read_tiajb.F,v 1.5 2003-10-17 22:55:29 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mp2_grad/mp2_wai_uhf.F b/src/mp2_grad/mp2_wai_uhf.F index bd23b0c685..d96231ed3f 100644 --- a/src/mp2_grad/mp2_wai_uhf.F +++ b/src/mp2_grad/mp2_wai_uhf.F @@ -8,7 +8,7 @@ subroutine mp2_wai_uhf(nva_lo,nva_hi,sym_lo_oa,sym_hi_oa, $ ioff_vooo_a,ioff_vooo_b,tunita,tunitb, $ p_ai_a,p_ai_b,w_ai_a,w_ai_b) * -* $Id: mp2_wai_uhf.F,v 1.4 2003-10-17 22:55:29 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mp2_grad/mp2_wijab_uhf.F b/src/mp2_grad/mp2_wijab_uhf.F index 3db14f2aec..7e627d3f31 100644 --- a/src/mp2_grad/mp2_wijab_uhf.F +++ b/src/mp2_grad/mp2_wijab_uhf.F @@ -8,7 +8,7 @@ subroutine mp2_wijab_uhf(nir,nva_lo,nva_hi, $ eval_a,eval_b, $ g_w_ij_a,g_w_ij_b,g_w_ab_a,g_w_ab_b) * -* $Id: mp2_wijab_uhf.F,v 1.15 2003-10-17 22:55:29 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/mrpt/fci/GNUmakefile b/src/mrpt/fci/GNUmakefile index 8f35a1b88e..ddb0211bab 100644 --- a/src/mrpt/fci/GNUmakefile +++ b/src/mrpt/fci/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.2 1999-07-28 00:23:43 d3e129 Exp $ +# $Id$ # ARFLAGS = urs diff --git a/src/mrpt/fci/bitops.fh b/src/mrpt/fci/bitops.fh index e16fec7de0..125eae503f 100644 --- a/src/mrpt/fci/bitops.fh +++ b/src/mrpt/fci/bitops.fh @@ -1,5 +1,5 @@ * -* $Id: bitops.fh,v 1.2 1999-07-28 00:23:38 d3e129 Exp $ +* $Id$ * #ifdef LINUXF2C #define ieor(a,b) xor(a,b) diff --git a/src/mrpt/fci/crayio.c b/src/mrpt/fci/crayio.c index bfbd23feba..8ae32f9ded 100644 --- a/src/mrpt/fci/crayio.c +++ b/src/mrpt/fci/crayio.c @@ -1,5 +1,5 @@ /* - $Id: crayio.c,v 1.2 1999-07-28 00:23:38 d3e129 Exp $ + $Id$ Simulate the cray 64 bit word addressable I/O routines and allow for large buffering in core. diff --git a/src/mrpt/fci/daxpy.F b/src/mrpt/fci/daxpy.F index 0d7ba1294c..8903b38ea3 100644 --- a/src/mrpt/fci/daxpy.F +++ b/src/mrpt/fci/daxpy.F @@ -1,5 +1,5 @@ * -* $Id: daxpy.F,v 1.2 1999-07-28 00:23:38 d3e129 Exp $ +* $Id$ * subroutine daxpy(n,da,dx,incx,dy,incy) c diff --git a/src/mrpt/fci/dcopy.F b/src/mrpt/fci/dcopy.F index cdc7d7c5b7..3306cdb4ae 100644 --- a/src/mrpt/fci/dcopy.F +++ b/src/mrpt/fci/dcopy.F @@ -1,5 +1,5 @@ * -* $Id: dcopy.F,v 1.2 1999-07-28 00:23:38 d3e129 Exp $ +* $Id$ * subroutine dcopy(n,dx,incx,dy,incy) c diff --git a/src/mrpt/fci/ddot.F b/src/mrpt/fci/ddot.F index 66184b6ae5..eaa2a568f7 100644 --- a/src/mrpt/fci/ddot.F +++ b/src/mrpt/fci/ddot.F @@ -1,5 +1,5 @@ * -* $Id: ddot.F,v 1.2 1999-07-28 00:23:38 d3e129 Exp $ +* $Id$ * double precision function ddot(n,dx,incx,dy,incy) c diff --git a/src/mrpt/fci/dgemm.F b/src/mrpt/fci/dgemm.F index 41bf2eeeb7..1e69045a9f 100644 --- a/src/mrpt/fci/dgemm.F +++ b/src/mrpt/fci/dgemm.F @@ -1,10 +1,10 @@ * -* $Id: dgemm.F,v 1.2 1999-07-28 00:23:38 d3e129 Exp $ +* $Id$ * SUBROUTINE DGEMM (TRANSA,TRANSB,M,N,K,ALPHA,A,LDA,B,LDB, $ BETA,C,LDC) * .. Scalar Arguments .. -C $Id: dgemm.F,v 1.2 1999-07-28 00:23:38 d3e129 Exp $ +C $Id$ CHARACTER*1 TRANSA,TRANSB INTEGER M,N,K,LDA,LDB,LDC DOUBLE PRECISION ALPHA,BETA @@ -365,7 +365,7 @@ SUBROUTINE DGEMM (TRANSA,TRANSB,M,N,K,ALPHA,A,LDA,B,LDB, END LOGICAL FUNCTION LSAME( CA, CB ) * -* $Id: dgemm.F,v 1.2 1999-07-28 00:23:38 d3e129 Exp $ +* $Id$ * * * -- LAPACK auxiliary routine (version 2.0) -- diff --git a/src/mrpt/fci/dscal.F b/src/mrpt/fci/dscal.F index b207bf370b..d732e039f0 100644 --- a/src/mrpt/fci/dscal.F +++ b/src/mrpt/fci/dscal.F @@ -1,5 +1,5 @@ * -* $Id: dscal.F,v 1.2 1999-07-28 00:23:38 d3e129 Exp $ +* $Id$ * subroutine dscal(n,da,dx,incx) c diff --git a/src/mrpt/fci/fci.F b/src/mrpt/fci/fci.F index 1e54dac90d..63debafa12 100644 --- a/src/mrpt/fci/fci.F +++ b/src/mrpt/fci/fci.F @@ -1,5 +1,5 @@ * -* $Id: fci.F,v 1.2 1999-07-28 00:23:38 d3e129 Exp $ +* $Id$ * program fci implicit none diff --git a/src/mrpt/fci/fci_1pdm.F b/src/mrpt/fci/fci_1pdm.F index a7e485145a..bdb607a113 100644 --- a/src/mrpt/fci/fci_1pdm.F +++ b/src/mrpt/fci/fci_1pdm.F @@ -1,5 +1,5 @@ * -* $Id: fci_1pdm.F,v 1.2 1999-07-28 00:23:39 d3e129 Exp $ +* $Id$ * subroutine fci_1pdm(vec, nvec, onepdm) implicit none diff --git a/src/mrpt/fci/fci_2pdm.F b/src/mrpt/fci/fci_2pdm.F index 0aad236ad8..0907e8d411 100644 --- a/src/mrpt/fci/fci_2pdm.F +++ b/src/mrpt/fci/fci_2pdm.F @@ -1,5 +1,5 @@ * -* $Id: fci_2pdm.F,v 1.2 1999-07-28 00:23:39 d3e129 Exp $ +* $Id$ * subroutine fci_2pdm(vec, nvec, twopdm, onepdm, ecore, h, g) implicit none diff --git a/src/mrpt/fci/fci_3pdm.F b/src/mrpt/fci/fci_3pdm.F index bfbc15abc6..9e75391909 100644 --- a/src/mrpt/fci/fci_3pdm.F +++ b/src/mrpt/fci/fci_3pdm.F @@ -1,5 +1,5 @@ * -* $Id: fci_3pdm.F,v 1.2 1999-07-28 00:23:39 d3e129 Exp $ +* $Id$ * subroutine fci_3pdm(vec, nvec, work, twopdm) implicit none diff --git a/src/mrpt/fci/fci_axb.F b/src/mrpt/fci/fci_axb.F index 8caa8eddf9..07c4f620f9 100644 --- a/src/mrpt/fci/fci_axb.F +++ b/src/mrpt/fci/fci_axb.F @@ -1,5 +1,5 @@ * -* $Id: fci_axb.F,v 1.2 1999-07-28 00:23:39 d3e129 Exp $ +* $Id$ * subroutine fci_axb(ni, nj, nk, a, b, c) implicit none diff --git a/src/mrpt/fci/fci_cntone.F b/src/mrpt/fci/fci_cntone.F index b735b04edd..00670da526 100644 --- a/src/mrpt/fci/fci_cntone.F +++ b/src/mrpt/fci/fci_cntone.F @@ -1,5 +1,5 @@ * -* $Id: fci_cntone.F,v 1.2 1999-07-28 00:23:39 d3e129 Exp $ +* $Id$ * subroutine fci_cntone(nonelt,nonemx) implicit none diff --git a/src/mrpt/fci/fci_couple1.F b/src/mrpt/fci/fci_couple1.F index 19d57f18c5..961f433ca5 100644 --- a/src/mrpt/fci/fci_couple1.F +++ b/src/mrpt/fci/fci_couple1.F @@ -1,5 +1,5 @@ * -* $Id: fci_couple1.F,v 1.2 1999-07-28 00:23:39 d3e129 Exp $ +* $Id$ * subroutine fci_couple1(vec, nvec, p, iocc, idim, $ numq, qlist, epq) diff --git a/src/mrpt/fci/fci_couple2.F b/src/mrpt/fci/fci_couple2.F index 7cebd54d47..1835640c35 100644 --- a/src/mrpt/fci/fci_couple2.F +++ b/src/mrpt/fci/fci_couple2.F @@ -1,5 +1,5 @@ * -* $Id: fci_couple2.F,v 1.2 1999-07-28 00:23:39 d3e129 Exp $ +* $Id$ * subroutine fci_couple2(vec, nvec, p, r, iocc, idim, $ numqs, qslist, epqrs) diff --git a/src/mrpt/fci/fci_couple3.F b/src/mrpt/fci/fci_couple3.F index 0862bdd037..e4688be64f 100644 --- a/src/mrpt/fci/fci_couple3.F +++ b/src/mrpt/fci/fci_couple3.F @@ -1,5 +1,5 @@ * -* $Id: fci_couple3.F,v 1.2 1999-07-28 00:23:39 d3e129 Exp $ +* $Id$ * subroutine fci_couple3(vec, nvec, p, q, r, t, iocc, idim, $ numsu, sulist, epqrstu) diff --git a/src/mrpt/fci/fci_davids.F b/src/mrpt/fci/fci_davids.F index 41cf474465..2d7c8beb63 100644 --- a/src/mrpt/fci/fci_davids.F +++ b/src/mrpt/fci/fci_davids.F @@ -1,5 +1,5 @@ * -* $Id: fci_davids.F,v 1.2 1999-07-28 00:23:39 d3e129 Exp $ +* $Id$ * logical function fci_davids(n, nroot, maxiter, maxsub, tol, $ work, lenwrk, evecfile, diagfile, eval, ecore, h, g) diff --git a/src/mrpt/fci/fci_detwalk.F b/src/mrpt/fci/fci_detwalk.F index 208d83b05e..64001760d4 100644 --- a/src/mrpt/fci/fci_detwalk.F +++ b/src/mrpt/fci/fci_detwalk.F @@ -1,5 +1,5 @@ * -* $Id: fci_detwalk.F,v 1.2 1999-07-28 00:23:39 d3e129 Exp $ +* $Id$ * subroutine fci_det_to_walk(idet, owalk, mwalk) implicit none diff --git a/src/mrpt/fci/fci_dfill.F b/src/mrpt/fci/fci_dfill.F index ac925eb8be..181cdf0ce0 100644 --- a/src/mrpt/fci/fci_dfill.F +++ b/src/mrpt/fci/fci_dfill.F @@ -1,5 +1,5 @@ * -* $Id: fci_dfill.F,v 1.2 1999-07-28 00:23:39 d3e129 Exp $ +* $Id$ * subroutine dfill(val,x,iskip,n) implicit none diff --git a/src/mrpt/fci/fci_diags.F b/src/mrpt/fci/fci_diags.F index 7a9cf9e1ee..85311da98a 100644 --- a/src/mrpt/fci/fci_diags.F +++ b/src/mrpt/fci/fci_diags.F @@ -1,5 +1,5 @@ * -* $Id: fci_diags.F,v 1.2 1999-07-28 00:23:39 d3e129 Exp $ +* $Id$ * subroutine fci_diags(hd,ecore,h,g,ionel,nonemx,kpt,mkpt) implicit none diff --git a/src/mrpt/fci/fci_err.F b/src/mrpt/fci/fci_err.F index 824f27e0be..d8a6e9d6e3 100644 --- a/src/mrpt/fci/fci_err.F +++ b/src/mrpt/fci/fci_err.F @@ -1,5 +1,5 @@ * -* $Id: fci_err.F,v 1.2 1999-07-28 00:23:40 d3e129 Exp $ +* $Id$ * subroutine fci_err(string, code) implicit none diff --git a/src/mrpt/fci/fci_hami.F b/src/mrpt/fci/fci_hami.F index f63eae34f5..177c46548b 100644 --- a/src/mrpt/fci/fci_hami.F +++ b/src/mrpt/fci/fci_hami.F @@ -1,5 +1,5 @@ * -* $Id: fci_hami.F,v 1.2 1999-07-28 00:23:40 d3e129 Exp $ +* $Id$ * subroutine fci_hami(hamil, ecore, h, g, work, lenwork) implicit none diff --git a/src/mrpt/fci/fci_hmod.F b/src/mrpt/fci/fci_hmod.F index bd97979efd..ce5474a248 100644 --- a/src/mrpt/fci/fci_hmod.F +++ b/src/mrpt/fci/fci_hmod.F @@ -1,5 +1,5 @@ * -* $Id: fci_hmod.F,v 1.2 1999-07-28 00:23:40 d3e129 Exp $ +* $Id$ * subroutine fci_hmod(h, g, hmod) implicit none diff --git a/src/mrpt/fci/fci_hsort.F b/src/mrpt/fci/fci_hsort.F index b3e370ab9d..4d30aa45d1 100644 --- a/src/mrpt/fci/fci_hsort.F +++ b/src/mrpt/fci/fci_hsort.F @@ -1,5 +1,5 @@ * -* $Id: fci_hsort.F,v 1.2 1999-07-28 00:23:40 d3e129 Exp $ +* $Id$ * subroutine fci_hsort(A, ionel, n) implicit none diff --git a/src/mrpt/fci/fci_hv.F b/src/mrpt/fci/fci_hv.F index c842c184f4..45eab2c572 100644 --- a/src/mrpt/fci/fci_hv.F +++ b/src/mrpt/fci/fci_hv.F @@ -1,5 +1,5 @@ * -* $Id: fci_hv.F,v 1.2 1999-07-28 00:23:40 d3e129 Exp $ +* $Id$ * subroutine fci_hv(ecore, h, g, work, lenwrk, v, s) implicit none diff --git a/src/mrpt/fci/fci_ifill.F b/src/mrpt/fci/fci_ifill.F index 2f0273361b..3ba50b72ef 100644 --- a/src/mrpt/fci/fci_ifill.F +++ b/src/mrpt/fci/fci_ifill.F @@ -1,5 +1,5 @@ * -* $Id: fci_ifill.F,v 1.2 1999-07-28 00:23:40 d3e129 Exp $ +* $Id$ * subroutine ifill(ival,ix,iskip,n) implicit none diff --git a/src/mrpt/fci/fci_intchk.F b/src/mrpt/fci/fci_intchk.F index ce7fbca1c0..805c9c07ec 100644 --- a/src/mrpt/fci/fci_intchk.F +++ b/src/mrpt/fci/fci_intchk.F @@ -1,5 +1,5 @@ * -* $Id: fci_intchk.F,v 1.2 1999-07-28 00:23:40 d3e129 Exp $ +* $Id$ * subroutine fci_intchk(h, g) implicit none diff --git a/src/mrpt/fci/fci_load.F b/src/mrpt/fci/fci_load.F index 598ddf2959..ffa05b0e4b 100644 --- a/src/mrpt/fci/fci_load.F +++ b/src/mrpt/fci/fci_load.F @@ -1,5 +1,5 @@ * -* $Id: fci_load.F,v 1.2 1999-07-28 00:23:40 d3e129 Exp $ +* $Id$ * subroutine fci_load(h,g,ecore) implicit none diff --git a/src/mrpt/fci/fci_make_eaj.F b/src/mrpt/fci/fci_make_eaj.F index b8dc978918..4148f7906b 100644 --- a/src/mrpt/fci/fci_make_eaj.F +++ b/src/mrpt/fci/fci_make_eaj.F @@ -1,5 +1,5 @@ * -* $Id: fci_make_eaj.F,v 1.2 1999-07-28 00:23:40 d3e129 Exp $ +* $Id$ * subroutine fci_make_all_eaj implicit none diff --git a/src/mrpt/fci/fci_mfndoc.F b/src/mrpt/fci/fci_mfndoc.F index eac0639b22..b7104c595c 100644 --- a/src/mrpt/fci/fci_mfndoc.F +++ b/src/mrpt/fci/fci_mfndoc.F @@ -1,5 +1,5 @@ * -* $Id: fci_mfndoc.F,v 1.2 1999-07-28 00:23:40 d3e129 Exp $ +* $Id$ * subroutine fci_mfind_occ(iwalk,iocc,ns) implicit none diff --git a/src/mrpt/fci/fci_mfndwt.F b/src/mrpt/fci/fci_mfndwt.F index 7780770739..ba253605ee 100644 --- a/src/mrpt/fci/fci_mfndwt.F +++ b/src/mrpt/fci/fci_mfndwt.F @@ -1,5 +1,5 @@ * -* $Id: fci_mfndwt.F,v 1.2 1999-07-28 00:23:40 d3e129 Exp $ +* $Id$ * subroutine fci_mfind_weight(iwalk,iocc,ns) implicit none diff --git a/src/mrpt/fci/fci_mgraph.F b/src/mrpt/fci/fci_mgraph.F index caa9fc3f8d..4caf67f3ed 100644 --- a/src/mrpt/fci/fci_mgraph.F +++ b/src/mrpt/fci/fci_mgraph.F @@ -1,5 +1,5 @@ * -* $Id: fci_mgraph.F,v 1.2 1999-07-28 00:23:41 d3e129 Exp $ +* $Id$ * subroutine fci_mgraph implicit none diff --git a/src/mrpt/fci/fci_num.F b/src/mrpt/fci/fci_num.F index 7d7e03e4f2..ec39ac503f 100644 --- a/src/mrpt/fci/fci_num.F +++ b/src/mrpt/fci/fci_num.F @@ -1,5 +1,5 @@ * -* $Id: fci_num.F,v 1.2 1999-07-28 00:23:41 d3e129 Exp $ +* $Id$ * integer function fci_num_dets(ns) implicit none diff --git a/src/mrpt/fci/fci_ofndoc.F b/src/mrpt/fci/fci_ofndoc.F index 2f3c1513b6..5919298ff1 100644 --- a/src/mrpt/fci/fci_ofndoc.F +++ b/src/mrpt/fci/fci_ofndoc.F @@ -1,5 +1,5 @@ * -* $Id: fci_ofndoc.F,v 1.2 1999-07-28 00:23:41 d3e129 Exp $ +* $Id$ * subroutine fci_ofind_occ(iwalk,iocc) implicit none diff --git a/src/mrpt/fci/fci_ofndwt.F b/src/mrpt/fci/fci_ofndwt.F index 24ec9fa589..19e9708614 100644 --- a/src/mrpt/fci/fci_ofndwt.F +++ b/src/mrpt/fci/fci_ofndwt.F @@ -1,5 +1,5 @@ * -* $Id: fci_ofndwt.F,v 1.2 1999-07-28 00:23:41 d3e129 Exp $ +* $Id$ * subroutine fci_ofind_weight(iwalk,iocc) implicit none diff --git a/src/mrpt/fci/fci_ograph.F b/src/mrpt/fci/fci_ograph.F index 0f15f65723..b9804925f9 100644 --- a/src/mrpt/fci/fci_ograph.F +++ b/src/mrpt/fci/fci_ograph.F @@ -1,5 +1,5 @@ * -* $Id: fci_ograph.F,v 1.2 1999-07-28 00:23:41 d3e129 Exp $ +* $Id$ * subroutine fci_ograph implicit none diff --git a/src/mrpt/fci/fci_onelcc.F b/src/mrpt/fci/fci_onelcc.F index 8901f86cf5..7eddf9856c 100644 --- a/src/mrpt/fci/fci_onelcc.F +++ b/src/mrpt/fci/fci_onelcc.F @@ -1,5 +1,5 @@ * -* $Id: fci_onelcc.F,v 1.2 1999-07-28 00:23:41 d3e129 Exp $ +* $Id$ * subroutine fci_onelcc(iocc,idet,idim,isym, $ ionel,nonel,nonemx) diff --git a/src/mrpt/fci/fci_onepdm.F b/src/mrpt/fci/fci_onepdm.F index e02dd9a81d..4f0e1b5e15 100644 --- a/src/mrpt/fci/fci_onepdm.F +++ b/src/mrpt/fci/fci_onepdm.F @@ -1,5 +1,5 @@ * -* $Id: fci_onepdm.F,v 1.2 1999-07-28 00:23:41 d3e129 Exp $ +* $Id$ * subroutine fci_onepdm(vec, nvec, weight, onepdm) implicit none diff --git a/src/mrpt/fci/fci_output.F b/src/mrpt/fci/fci_output.F index 107d4b9f4d..6830f557fb 100644 --- a/src/mrpt/fci/fci_output.F +++ b/src/mrpt/fci/fci_output.F @@ -1,5 +1,5 @@ * -* $Id: fci_output.F,v 1.2 1999-07-28 00:23:41 d3e129 Exp $ +* $Id$ * subroutine fci_output (z,rowlow,rowhi,collow,colhi,rowdim,coldim, $ nctl) @@ -24,7 +24,7 @@ subroutine fci_output (z,rowlow,rowhi,collow,colhi,rowdim,coldim, c author; nelson h.f. beebe, quantum theory project, university of c florida, gainesville c....................................................................... -C$Id: fci_output.F,v 1.2 1999-07-28 00:23:41 d3e129 Exp $ +C$Id$ implicit none integer rowlow,rowhi,collow,colhi,rowdim,coldim,begin,kcol integer nctl, i, j, last, k diff --git a/src/mrpt/fci/fci_owalk_info.F b/src/mrpt/fci/fci_owalk_info.F index 2f91ddb605..0cb9569e05 100644 --- a/src/mrpt/fci/fci_owalk_info.F +++ b/src/mrpt/fci/fci_owalk_info.F @@ -1,5 +1,5 @@ * -* $Id: fci_owalk_info.F,v 1.2 1999-07-28 00:23:41 d3e129 Exp $ +* $Id$ * subroutine fci_owalk_info(owalk, iocc, ns, ioff, numdet, sym) implicit none diff --git a/src/mrpt/fci/fci_prntri.F b/src/mrpt/fci/fci_prntri.F index 945feb10b7..61b0279916 100644 --- a/src/mrpt/fci/fci_prntri.F +++ b/src/mrpt/fci/fci_prntri.F @@ -1,5 +1,5 @@ * -* $Id: fci_prntri.F,v 1.2 1999-07-28 00:23:41 d3e129 Exp $ +* $Id$ * subroutine fci_prntri(a,m) implicit real*8 (a-h,o-z) diff --git a/src/mrpt/fci/fci_prspnad.F b/src/mrpt/fci/fci_prspnad.F index 66350ead11..a70f34bf62 100644 --- a/src/mrpt/fci/fci_prspnad.F +++ b/src/mrpt/fci/fci_prspnad.F @@ -1,5 +1,5 @@ * -* $Id: fci_prspnad.F,v 1.2 1999-07-28 00:23:41 d3e129 Exp $ +* $Id$ * subroutine fci_prspnad(ns) implicit none diff --git a/src/mrpt/fci/fci_prteop.F b/src/mrpt/fci/fci_prteop.F index 974e22682a..915688be43 100644 --- a/src/mrpt/fci/fci_prteop.F +++ b/src/mrpt/fci/fci_prteop.F @@ -1,5 +1,5 @@ * -* $Id: fci_prteop.F,v 1.2 1999-07-28 00:23:42 d3e129 Exp $ +* $Id$ * subroutine fci_prteop(ionel,nonel) implicit integer(a-z) diff --git a/src/mrpt/fci/fci_setup.F b/src/mrpt/fci/fci_setup.F index 246f7a0d67..3af06b2941 100644 --- a/src/mrpt/fci/fci_setup.F +++ b/src/mrpt/fci/fci_setup.F @@ -1,5 +1,5 @@ * -* $Id: fci_setup.F,v 1.2 1999-07-28 00:23:42 d3e129 Exp $ +* $Id$ * subroutine fci_setup(multiplicity, nactive, nelectrons, $ orbsyms, symstate, diff --git a/src/mrpt/fci/fci_sigma.F b/src/mrpt/fci/fci_sigma.F index 899cc699ae..c7575138c8 100644 --- a/src/mrpt/fci/fci_sigma.F +++ b/src/mrpt/fci/fci_sigma.F @@ -1,5 +1,5 @@ * -* $Id: fci_sigma.F,v 1.2 1999-07-28 00:23:42 d3e129 Exp $ +* $Id$ * subroutine fci_sigma(c,s,ecore,h,g,ionel,i1dim,nonemx, $ dkl,bij,kblmax) diff --git a/src/mrpt/fci/fci_solve.F b/src/mrpt/fci/fci_solve.F index c72ddbbd00..33e7be06d5 100644 --- a/src/mrpt/fci/fci_solve.F +++ b/src/mrpt/fci/fci_solve.F @@ -1,5 +1,5 @@ * -* $Id: fci_solve.F,v 1.2 1999-07-28 00:23:42 d3e129 Exp $ +* $Id$ * subroutine fci_solve(nroot, thresh, maxvec, ecore, h, g, $ work, lenwrk, roots, evecfilename, diagfilename) diff --git a/src/mrpt/fci/fci_spnad.F b/src/mrpt/fci/fci_spnad.F index d021ac055f..0e5599ecb1 100644 --- a/src/mrpt/fci/fci_spnad.F +++ b/src/mrpt/fci/fci_spnad.F @@ -1,5 +1,5 @@ * -* $Id: fci_spnad.F,v 1.2 1999-07-28 00:23:42 d3e129 Exp $ +* $Id$ * subroutine fci_spin_adapt_nvec $ (ns, direction, det, ldd, csf, ldc, nvec) diff --git a/src/mrpt/fci/fci_spnfrc.F b/src/mrpt/fci/fci_spnfrc.F index 328baa3f6b..2f285c5691 100644 --- a/src/mrpt/fci/fci_spnfrc.F +++ b/src/mrpt/fci/fci_spnfrc.F @@ -1,5 +1,5 @@ * -* $Id: fci_spnfrc.F,v 1.2 1999-07-28 00:23:42 d3e129 Exp $ +* $Id$ * subroutine fci_spin_force(c) implicit none diff --git a/src/mrpt/fci/fci_srt1cc.F b/src/mrpt/fci/fci_srt1cc.F index 436110a4f6..475d818d41 100644 --- a/src/mrpt/fci/fci_srt1cc.F +++ b/src/mrpt/fci/fci_srt1cc.F @@ -1,5 +1,5 @@ * -* $Id: fci_srt1cc.F,v 1.2 1999-07-28 00:23:42 d3e129 Exp $ +* $Id$ * subroutine fci_srt1cc(ionel,nonel,kbase,kdim,kpt,mkpt) implicit none diff --git a/src/mrpt/fci/fci_tinit.F b/src/mrpt/fci/fci_tinit.F index cc65260930..40e638662d 100644 --- a/src/mrpt/fci/fci_tinit.F +++ b/src/mrpt/fci/fci_tinit.F @@ -1,5 +1,5 @@ * -* $Id: fci_tinit.F,v 1.3 1999-07-28 00:23:42 d3e129 Exp $ +* $Id$ * subroutine fci_tinit implicit none diff --git a/src/mrpt/fci/fciinfo.fh b/src/mrpt/fci/fciinfo.fh index 04e59ebc8d..2b21b3bfb4 100644 --- a/src/mrpt/fci/fciinfo.fh +++ b/src/mrpt/fci/fciinfo.fh @@ -1,5 +1,5 @@ * -* $Id: fciinfo.fh,v 1.2 1999-07-28 00:23:42 d3e129 Exp $ +* $Id$ * #include "fciparam.fh" c diff --git a/src/mrpt/fci/fciparam.fh b/src/mrpt/fci/fciparam.fh index 8bd8cba4c4..780675ee5d 100644 --- a/src/mrpt/fci/fciparam.fh +++ b/src/mrpt/fci/fciparam.fh @@ -1,5 +1,5 @@ * -* $Id: fciparam.fh,v 1.2 1999-07-28 00:23:42 d3e129 Exp $ +* $Id$ * c c PARAMETERS diff --git a/src/mrpt/fci/fcitime.fh b/src/mrpt/fci/fcitime.fh index 677f4887d9..26ea7d3457 100644 --- a/src/mrpt/fci/fcitime.fh +++ b/src/mrpt/fci/fcitime.fh @@ -1,5 +1,5 @@ * -* $Id: fcitime.fh,v 1.2 1999-07-28 00:23:42 d3e129 Exp $ +* $Id$ * c c Common for performance stats inside the FCI diff --git a/src/mrpt/fci/idamax.F b/src/mrpt/fci/idamax.F index 1863f2d614..2363037764 100644 --- a/src/mrpt/fci/idamax.F +++ b/src/mrpt/fci/idamax.F @@ -1,5 +1,5 @@ * -* $Id: idamax.F,v 1.2 1999-07-28 00:23:42 d3e129 Exp $ +* $Id$ * integer function idamax(n,dx,incx) c diff --git a/src/mrpt/fci/ieor.c b/src/mrpt/fci/ieor.c index d4fd307d71..8ee92dbee1 100644 --- a/src/mrpt/fci/ieor.c +++ b/src/mrpt/fci/ieor.c @@ -1,5 +1,5 @@ /* - $Id: ieor.c,v 1.2 1999-07-28 00:23:43 d3e129 Exp $ + $Id$ */ int ieor_(int *i, int *j) diff --git a/src/mrpt/fci/linux_cputime.c b/src/mrpt/fci/linux_cputime.c index 791ce1908b..47634172a8 100644 --- a/src/mrpt/fci/linux_cputime.c +++ b/src/mrpt/fci/linux_cputime.c @@ -1,5 +1,5 @@ /* - $Id: linux_cputime.c,v 1.2 1999-07-28 00:23:43 d3e129 Exp $ + $Id$ */ #include diff --git a/src/mrpt/fci/renorm.F b/src/mrpt/fci/renorm.F index c57bb516fc..032d9c4ab0 100644 --- a/src/mrpt/fci/renorm.F +++ b/src/mrpt/fci/renorm.F @@ -1,5 +1,5 @@ * -* $Id: renorm.F,v 1.2 1999-07-28 00:23:43 d3e129 Exp $ +* $Id$ * subroutine renorm(n,x,xnorm) implicit none diff --git a/src/mrpt/fci/rsg.f b/src/mrpt/fci/rsg.f index d22737c3ca..5ec0507d92 100644 --- a/src/mrpt/fci/rsg.f +++ b/src/mrpt/fci/rsg.f @@ -1,6 +1,6 @@ subroutine rsg(nm,n,a,b,w,matz,z,fv1,fv2,ierr) c -C$Id: rsg.f,v 1.1 1997-08-25 21:29:53 d3g681 Exp $ +C$Id$ integer n,nm,ierr,matz double precision a(nm,n),b(nm,n),w(n),z(nm,n),fv1(n),fv2(n) c diff --git a/src/mrpt/fci/screen.F b/src/mrpt/fci/screen.F index af83b34892..6976a945a5 100644 --- a/src/mrpt/fci/screen.F +++ b/src/mrpt/fci/screen.F @@ -1,5 +1,5 @@ * -* $Id: screen.F,v 1.2 1999-07-28 00:23:43 d3e129 Exp $ +* $Id$ * subroutine screen(thresh,x,ix,n) implicit none diff --git a/src/mrpt/fci/timer.f b/src/mrpt/fci/timer.f index a5e39dd982..534a3f6d58 100644 --- a/src/mrpt/fci/timer.f +++ b/src/mrpt/fci/timer.f @@ -1,5 +1,5 @@ * -* $Id: timer.f,v 1.2 1999-07-28 00:23:43 d3e129 Exp $ +* $Id$ * implicit none integer maxn diff --git a/src/mrpt/fci/yacobi.F b/src/mrpt/fci/yacobi.F index f960fc35d6..edf6f7f1c1 100644 --- a/src/mrpt/fci/yacobi.F +++ b/src/mrpt/fci/yacobi.F @@ -1,5 +1,5 @@ * -* $Id: yacobi.F,v 1.2 1999-07-28 00:23:43 d3e129 Exp $ +* $Id$ * subroutine yacobi (a,u,n,big,jb,iord) implicit real*8(a-h,o-z) diff --git a/src/nbo/GNUmakefile b/src/nbo/GNUmakefile index 00ef00d734..47928f3d57 100644 --- a/src/nbo/GNUmakefile +++ b/src/nbo/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.5 2008-05-08 22:20:28 bert Exp $ +# $Id$ # diff --git a/src/nwchem.F b/src/nwchem.F index b852596b42..a87c1290c4 100644 --- a/src/nwchem.F +++ b/src/nwchem.F @@ -25,7 +25,7 @@ program nwchem integer*4 io_code #endif c -c $Id: nwchem.F,v 1.163 2009-03-09 22:03:48 d3p307 Exp $ +c $Id$ c c ====================================================================================================== c Northwest Computational Chemistry Package (NWChem) 6.0 diff --git a/src/nwchem.nw b/src/nwchem.nw index cbc618c908..77b2b04ee9 100644 --- a/src/nwchem.nw +++ b/src/nwchem.nw @@ -1,5 +1,5 @@ # -# $Id: nwchem.nw,v 1.11 2000-08-01 17:11:34 d3g681 Exp $ +# $Id$ # title "Water geometry optimization in cc-pvdz basis set" diff --git a/src/nwmd/GNUmakefile b/src/nwmd/GNUmakefile index f6c31686e1..36279e508b 100644 --- a/src/nwmd/GNUmakefile +++ b/src/nwmd/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.7 2005-10-03 21:18:07 edo Exp $ +# $Id$ # OBJ_OPTIMIZE = nwmd.o md_start.o md_input.o md_main.o \ diff --git a/src/nwmd/constants.fh b/src/nwmd/constants.fh index 9f83398dcf..831ff53f09 100644 --- a/src/nwmd/constants.fh +++ b/src/nwmd/constants.fh @@ -1,5 +1,5 @@ c -c $Id: constants.fh,v 1.1 2000-04-04 18:08:17 d3j191 Exp $ +c $Id$ c real*8 cnm2au,cau2kj,cau2nm,cau2N c diff --git a/src/nwmd/md_common.fh b/src/nwmd/md_common.fh index 4e199e4c38..402c987d5a 100644 --- a/src/nwmd/md_common.fh +++ b/src/nwmd/md_common.fh @@ -1,5 +1,5 @@ c -c $Id: md_common.fh,v 1.88 2008-07-03 18:05:48 d3j191 Exp $ +c $Id$ c c parameters c diff --git a/src/nwmd/md_finish.F b/src/nwmd/md_finish.F index 25a739efe1..746813439f 100644 --- a/src/nwmd/md_finish.F +++ b/src/nwmd/md_finish.F @@ -1,6 +1,6 @@ subroutine md_finish() c -c $Id: md_finish.F,v 1.41 2008-08-22 21:35:13 marat Exp $ +c $Id$ c implicit none c diff --git a/src/nwmd/md_input.F b/src/nwmd/md_input.F index f7ab11ed90..1e344f2b85 100644 --- a/src/nwmd/md_input.F +++ b/src/nwmd/md_input.F @@ -1,6 +1,6 @@ subroutine md_input(irtdb) c -c $Id: md_input.F,v 1.92 2008-07-03 18:05:48 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/nwmd/md_main.F b/src/nwmd/md_main.F index ee4bf3a3b5..80a3c4a0f3 100644 --- a/src/nwmd/md_main.F +++ b/src/nwmd/md_main.F @@ -1,6 +1,6 @@ subroutine md_main() c -c $Id: md_main.F,v 1.216 2008-07-03 18:05:48 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/nwmd/md_start.F b/src/nwmd/md_start.F index 5cf18766dc..75302fa55d 100644 --- a/src/nwmd/md_start.F +++ b/src/nwmd/md_start.F @@ -1,6 +1,6 @@ subroutine md_start c -c $Id: md_start.F,v 1.173 2008-07-08 14:52:13 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/nwmd/nwmd.F b/src/nwmd/nwmd.F index 9a95badcbf..046d1f0ca5 100644 --- a/src/nwmd/nwmd.F +++ b/src/nwmd/nwmd.F @@ -1,6 +1,6 @@ logical function nwmd(irtdb0) c -c $Id: nwmd.F,v 1.10 2003-08-07 00:24:45 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/nwmd/prp_common.fh b/src/nwmd/prp_common.fh index df6b066208..7cba30f6a6 100644 --- a/src/nwmd/prp_common.fh +++ b/src/nwmd/prp_common.fh @@ -1,5 +1,5 @@ c -c $Id: prp_common.fh,v 1.35 2008-07-03 18:05:48 d3j191 Exp $ +c $Id$ c c real*8 zero,tiny,half,one diff --git a/src/nwmd/prp_init.F b/src/nwmd/prp_init.F index 0109bb03a9..26a8aab86b 100644 --- a/src/nwmd/prp_init.F +++ b/src/nwmd/prp_init.F @@ -5,7 +5,7 @@ subroutine prp_start(nseri,ntyp,nftri,lfn,fil,iout,iprp,igib, + msmi,nsmi,nsai,ddi,edi,iprf,npmf,npenrg,ndistr,lpbci,nbiasi, + nodpme,nipmf,lguide,lqmmm,lqmd,iradgi,idifci,nbget,ipgi,npgi) c -c $Id: prp_init.F,v 1.69 2008-07-03 18:05:48 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/nwmd/prp_main.F b/src/nwmd/prp_main.F index 41d0d432cc..ba80874e9c 100644 --- a/src/nwmd/prp_main.F +++ b/src/nwmd/prp_main.F @@ -1,7 +1,7 @@ subroutine prp_step(mdstep,stime,eww,esw,ess,fss,esk, + epme,uqmd,uqmmm) c -c $Id: prp_main.F,v 1.106 2008-07-03 18:05:48 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/optim/GNUmakefile b/src/optim/GNUmakefile index 00eff946fe..cf028cb721 100644 --- a/src/optim/GNUmakefile +++ b/src/optim/GNUmakefile @@ -1,4 +1,4 @@ -#$Id: GNUmakefile,v 1.1 2008-02-29 19:26:01 niri Exp $ +#$Id$ # makefile,v 1.8 1994/12/05 20:37:08 og845 Exp OBJ = diff --git a/src/optim/deloc/GNUmakefile b/src/optim/deloc/GNUmakefile index 2733d802ac..f4881abf73 100644 --- a/src/optim/deloc/GNUmakefile +++ b/src/optim/deloc/GNUmakefile @@ -1,4 +1,4 @@ -# $Id: GNUmakefile,v 1.2 2008-03-01 01:34:03 niri Exp $ +# $Id$ # OBJ_OPTIMIZE = \ deloc_driver.o \ diff --git a/src/optim/mepgs/GNUmakefile b/src/optim/mepgs/GNUmakefile index 302f18d9c6..5f2ba99732 100644 --- a/src/optim/mepgs/GNUmakefile +++ b/src/optim/mepgs/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.25 2005/08/08 22:25:14 edo Exp $ +# $Id$ # LIBRARY = liboptim.a diff --git a/src/optim/mepgs/cgsopt.fh b/src/optim/mepgs/cgsopt.fh index 90e179026d..e23b5d42f7 100644 --- a/src/optim/mepgs/cgsopt.fh +++ b/src/optim/mepgs/cgsopt.fh @@ -1,5 +1,5 @@ * -* $Id: cgsopt.fh,v 1.14 2007/05/23 22:13:12 d3p307 Exp $ +* $Id$ * c c Defintions of /cgsopt/ and /cgsopt/ diff --git a/src/optim/mepgs/cmepgs.fh b/src/optim/mepgs/cmepgs.fh index 0d7e2ccd64..1b28c38a86 100644 --- a/src/optim/mepgs/cmepgs.fh +++ b/src/optim/mepgs/cmepgs.fh @@ -1,5 +1,5 @@ * -* $Id: cmepgs.fh,v 1.14 2007/05/23 22:13:12 d3p307 Exp $ +* $Id$ * c c Defintions of /cmepgs/ and /cmepgs/ diff --git a/src/optim/mepgs/geomP.fh b/src/optim/mepgs/geomP.fh index e006ecfaa8..ac3b9d69e7 100644 --- a/src/optim/mepgs/geomP.fh +++ b/src/optim/mepgs/geomP.fh @@ -1,5 +1,5 @@ * -* $Id: geomP.fh,v 1.31 2000/11/08 00:42:30 d3g681 Exp $ +* $Id$ * c c Private fortran include file for the geometry routines diff --git a/src/optim/mepgs/mepgs_drv.F b/src/optim/mepgs/mepgs_drv.F index 645e9868b6..20c92dbd6e 100644 --- a/src/optim/mepgs/mepgs_drv.F +++ b/src/optim/mepgs/mepgs_drv.F @@ -3945,7 +3945,7 @@ subroutine mepgs_vib_istep(rtdb,nat3,natom, CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC SUBROUTINE mepgs_vib_HMASS(HESST,ATMASS) -* $Id: vib_hmass.F,v 1.5 2003/03/14 01:56:09 edo Exp $ +* $Id$ C C This routine mass weights and scales the Hessian matrix C The scaling is done to avoid numerical problems in the diff --git a/src/optim/mepgs/mepgs_input.F b/src/optim/mepgs/mepgs_input.F index b018ac5a33..bdefe45b8d 100644 --- a/src/optim/mepgs/mepgs_input.F +++ b/src/optim/mepgs/mepgs_input.F @@ -1,6 +1,6 @@ subroutine mepgs_input(rtdb) * -* $Id: mepgs_input.F,v 1.12 2005/07/27 23:05:13 marat Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/optim/neb/GNUmakefile b/src/optim/neb/GNUmakefile index 8d447c7af7..668f30b8d3 100644 --- a/src/optim/neb/GNUmakefile +++ b/src/optim/neb/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.2 2005-08-08 23:50:37 marat Exp $ +# $Id$ # OBJ_OPTIMIZE = neb_input.o neb_drv.o neb_utils.o bead_list.o diff --git a/src/optim/neb/bead_list.F b/src/optim/neb/bead_list.F index 79af1cba31..d28ddac8c8 100644 --- a/src/optim/neb/bead_list.F +++ b/src/optim/neb/bead_list.F @@ -1,5 +1,5 @@ c -c $Id: bead_list.F,v 1.6 2005-10-03 00:07:18 marat Exp $ +c $Id$ c c c This file contains a list of beads, where a bead is defined diff --git a/src/optim/neb/neb.F b/src/optim/neb/neb.F index b5493f36c9..a411d52591 100644 --- a/src/optim/neb/neb.F +++ b/src/optim/neb/neb.F @@ -1,5 +1,5 @@ * -* $Id: neb.F,v 1.1 2004-02-11 02:37:09 marat Exp $ +* $Id$ * logical function neb(rtdb) implicit none diff --git a/src/optim/neb/neb_drv.F b/src/optim/neb/neb_drv.F index 07ab28ad5a..ba0eef3f0a 100644 --- a/src/optim/neb/neb_drv.F +++ b/src/optim/neb/neb_drv.F @@ -1,5 +1,5 @@ * -* $Id: neb_drv.F,v 1.8 2005-10-03 00:38:47 marat Exp $ +* $Id$ * logical function neb(rtdb) diff --git a/src/optim/neb/neb_input.F b/src/optim/neb/neb_input.F index 6cf555cdf9..cdf86352c1 100644 --- a/src/optim/neb/neb_input.F +++ b/src/optim/neb/neb_input.F @@ -1,4 +1,4 @@ -c $Id: neb_input.F,v 1.1 2004-02-11 02:37:09 marat Exp $ +c $Id$ subroutine neb_input(rtdb) implicit none #include "errquit.fh" diff --git a/src/optim/neb/neb_utils.F b/src/optim/neb/neb_utils.F index cfa71d9e5f..33deaec6d9 100644 --- a/src/optim/neb/neb_utils.F +++ b/src/optim/neb/neb_utils.F @@ -1,5 +1,5 @@ * -* $Id: neb_utils.F,v 1.4 2005-10-01 05:46:27 marat Exp $ +* $Id$ * subroutine neb_path_energy(bead_list,dpath,epath) implicit none diff --git a/src/optim/tropt/GNUmakefile b/src/optim/tropt/GNUmakefile index 57860c7ca8..0f140acbd7 100644 --- a/src/optim/tropt/GNUmakefile +++ b/src/optim/tropt/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.25 2005/08/08 22:25:14 edo Exp $ +# $Id$ # LIBRARY = liboptim.a diff --git a/src/optim/tropt/ctropt.fh b/src/optim/tropt/ctropt.fh index 3b44203109..e8c0ca0918 100644 --- a/src/optim/tropt/ctropt.fh +++ b/src/optim/tropt/ctropt.fh @@ -1,5 +1,5 @@ * -* $Id: ctropt.fh,v 1.14 2007/05/23 22:13:12 d3p307 Exp $ +* $Id$ * c c Defintions of /ctropt/ and /ctropt/ diff --git a/src/optim/tropt/geomP.fh b/src/optim/tropt/geomP.fh index e006ecfaa8..ac3b9d69e7 100644 --- a/src/optim/tropt/geomP.fh +++ b/src/optim/tropt/geomP.fh @@ -1,5 +1,5 @@ * -* $Id: geomP.fh,v 1.31 2000/11/08 00:42:30 d3g681 Exp $ +* $Id$ * c c Private fortran include file for the geometry routines diff --git a/src/optim/tropt/tropt_input.F b/src/optim/tropt/tropt_input.F index d12908babe..b66727fcd6 100644 --- a/src/optim/tropt/tropt_input.F +++ b/src/optim/tropt/tropt_input.F @@ -1,6 +1,6 @@ subroutine tropt_input(rtdb) * -* $Id: tropt_input.F,v 1.12 2005/07/27 23:05:13 marat Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/peigs/DEFS b/src/peigs/DEFS index cdc1da1b31..924318b807 100644 --- a/src/peigs/DEFS +++ b/src/peigs/DEFS @@ -1,5 +1,5 @@ # -# $Id: DEFS,v 1.119 2008-06-20 20:23:41 d3p307 Exp $ +# $Id$ # #====================================================================== # diff --git a/src/peigs/DEFS.WIN32 b/src/peigs/DEFS.WIN32 index 6d7b80b338..6d8c54a7c1 100644 --- a/src/peigs/DEFS.WIN32 +++ b/src/peigs/DEFS.WIN32 @@ -4,7 +4,7 @@ # # -# $Id: DEFS.WIN32,v 1.1 1999-11-13 02:42:51 bjohnson Exp $ +# $Id$ # peigs_SRC = $(TOPDIR)\src diff --git a/src/peigs/DEFS.nwchem b/src/peigs/DEFS.nwchem index 822fb5d74e..3e35ef8d8f 100644 --- a/src/peigs/DEFS.nwchem +++ b/src/peigs/DEFS.nwchem @@ -1,5 +1,5 @@ # -# $Id: DEFS.nwchem,v 1.4 2003-02-19 18:19:23 fruechtl Exp $ +# $Id$ # #====================================================================== # diff --git a/src/peigs/GNUmakefile b/src/peigs/GNUmakefile index 1e27623aa5..b5257244d3 100644 --- a/src/peigs/GNUmakefile +++ b/src/peigs/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.29 2005-11-02 19:04:38 edo Exp $ +# $Id$ # LIBRARY = libpeigs.a diff --git a/src/peigs/MakeFile b/src/peigs/MakeFile index 43e8847859..c15c95d275 100644 --- a/src/peigs/MakeFile +++ b/src/peigs/MakeFile @@ -1,5 +1,5 @@ # -# $Id: MakeFile,v 1.3 2000-11-25 15:42:43 bjohnson Exp $ +# $Id$ # #!MESSAGE *** Unresolved issues in this nmake file *** @@ -14,7 +14,7 @@ LIBRARY = peigs.lib !IF 0 # -# $Id: MakeFile,v 1.3 2000-11-25 15:42:43 bjohnson Exp $ +# $Id$ # LIBRARY = libpeigs.a diff --git a/src/peigs/comm/GNUmakefile b/src/peigs/comm/GNUmakefile index 4a05c7455f..0a900cddf6 100644 --- a/src/peigs/comm/GNUmakefile +++ b/src/peigs/comm/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.17 2005-11-02 19:04:43 edo Exp $ +# $Id$ # include ../../config/makefile.h include ../DEFS diff --git a/src/peigs/comm/MakeFile b/src/peigs/comm/MakeFile index 18e00cb1ab..3e1b6356db 100644 --- a/src/peigs/comm/MakeFile +++ b/src/peigs/comm/MakeFile @@ -1,5 +1,5 @@ # -# $Id: MakeFile,v 1.3 2000-11-25 15:42:42 bjohnson Exp $ +# $Id$ # #!MESSAGE *** Unresolved issues in this nmake file *** diff --git a/src/peigs/comm/cmbbfr1.h b/src/peigs/comm/cmbbfr1.h index 556b614a29..49b8d30525 100644 --- a/src/peigs/comm/cmbbfr1.h +++ b/src/peigs/comm/cmbbfr1.h @@ -1,5 +1,5 @@ * -* $Id: cmbbfr1.h,v 1.8 1999-07-28 00:39:02 d3e129 Exp $ +* $Id$ * c c Communications buffer. bufsiz is in bytes. As with 'data', diff --git a/src/peigs/comm/datasizes.h b/src/peigs/comm/datasizes.h index 455d7c68cd..ccddfc55f8 100644 --- a/src/peigs/comm/datasizes.h +++ b/src/peigs/comm/datasizes.h @@ -1,5 +1,5 @@ * -* $Id: datasizes.h,v 1.2 1999-07-28 00:39:02 d3e129 Exp $ +* $Id$ * * Number of bytes in an INTEGER variable. INTEGER NBYTEI diff --git a/src/peigs/comm/defines.h b/src/peigs/comm/defines.h index f97fc84b06..bae771d19f 100644 --- a/src/peigs/comm/defines.h +++ b/src/peigs/comm/defines.h @@ -1,5 +1,5 @@ * -* $Id: defines.h,v 1.2 1999-07-28 00:39:02 d3e129 Exp $ +* $Id$ * c #define USESTDIN #ifdef USESTDIN diff --git a/src/peigs/comm/maxx.F b/src/peigs/comm/maxx.F index 42316dbd57..8ed784fc58 100644 --- a/src/peigs/comm/maxx.F +++ b/src/peigs/comm/maxx.F @@ -1,5 +1,5 @@ * -* $Id: maxx.F,v 1.2 1999-07-28 00:39:02 d3e129 Exp $ +* $Id$ * *====================================================================== * diff --git a/src/peigs/comm/mxbrod.F b/src/peigs/comm/mxbrod.F index f16f4287cc..e30404259b 100644 --- a/src/peigs/comm/mxbrod.F +++ b/src/peigs/comm/mxbrod.F @@ -1,5 +1,5 @@ * -* $Id: mxbrod.F,v 1.4 1999-07-28 00:39:02 d3e129 Exp $ +* $Id$ * *====================================================================== * diff --git a/src/peigs/comm/mxcombv1.F b/src/peigs/comm/mxcombv1.F index 057eaf3ac4..6c3f06c0b1 100644 --- a/src/peigs/comm/mxcombv1.F +++ b/src/peigs/comm/mxcombv1.F @@ -1,5 +1,5 @@ * -* $Id: mxcombv1.F,v 1.9 1999-07-28 00:39:03 d3e129 Exp $ +* $Id$ * *====================================================================== * diff --git a/src/peigs/comm/mxsubs.F b/src/peigs/comm/mxsubs.F index b47876c7a6..7e8aa1aa19 100644 --- a/src/peigs/comm/mxsubs.F +++ b/src/peigs/comm/mxsubs.F @@ -1,5 +1,5 @@ * -* $Id: mxsubs.F,v 1.15 2003-10-29 04:49:31 edo Exp $ +* $Id$ * *====================================================================== * diff --git a/src/peigs/comm/mxsubs.h b/src/peigs/comm/mxsubs.h index 12b1b6aa46..587a12d063 100644 --- a/src/peigs/comm/mxsubs.h +++ b/src/peigs/comm/mxsubs.h @@ -1,5 +1,5 @@ * -* $Id: mxsubs.h,v 1.2 1999-07-28 00:39:03 d3e129 Exp $ +* $Id$ * common /mxscom/ me, host, nproc integer me, host, nproc diff --git a/src/peigs/comm/peigs_dgop.F b/src/peigs/comm/peigs_dgop.F index 2499992be0..037312c0f9 100644 --- a/src/peigs/comm/peigs_dgop.F +++ b/src/peigs/comm/peigs_dgop.F @@ -1,5 +1,5 @@ * -* $Id: peigs_dgop.F,v 1.5 1999-07-28 00:39:03 d3e129 Exp $ +* $Id$ * #define SIZE_OF_DOUBLE sizeof(double) c diff --git a/src/peigs/comm/sum.F b/src/peigs/comm/sum.F index 612f18551a..eeacae1e8e 100644 --- a/src/peigs/comm/sum.F +++ b/src/peigs/comm/sum.F @@ -1,5 +1,5 @@ * -* $Id: sum.F,v 1.4 1999-07-28 00:39:06 d3e129 Exp $ +* $Id$ * *====================================================================== * diff --git a/src/peigs/comm/xpress.com b/src/peigs/comm/xpress.com index 420429ca2b..f6f8f56f35 100644 --- a/src/peigs/comm/xpress.com +++ b/src/peigs/comm/xpress.com @@ -1,5 +1,5 @@ * -* $Id: xpress.com,v 1.2 1999-07-28 00:39:06 d3e129 Exp $ +* $Id$ * C This is a common block provided by Express for certain message passing C communication configurations. diff --git a/src/peigs/ctof/GNUmakefile b/src/peigs/ctof/GNUmakefile index 7378158012..22e1197912 100644 --- a/src/peigs/ctof/GNUmakefile +++ b/src/peigs/ctof/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.6 2005-11-02 19:04:43 edo Exp $ +# $Id$ # include ../../config/makefile.h diff --git a/src/peigs/ctof/MakeFile b/src/peigs/ctof/MakeFile index ec1c38a7d5..ac9e76f17d 100644 --- a/src/peigs/ctof/MakeFile +++ b/src/peigs/ctof/MakeFile @@ -1,5 +1,5 @@ # -# $Id: MakeFile,v 1.3 2000-11-25 15:42:42 bjohnson Exp $ +# $Id$ # #!MESSAGE *** Unresolved issues in this nmake file *** diff --git a/src/peigs/ctof/bortho_f.c b/src/peigs/ctof/bortho_f.c index 3e0b1e86ce..68323cc472 100644 --- a/src/peigs/ctof/bortho_f.c +++ b/src/peigs/ctof/bortho_f.c @@ -1,5 +1,5 @@ /* - $Id: bortho_f.c,v 1.3 2004-10-20 16:25:55 edo Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/ctof/choleski_f.c b/src/peigs/ctof/choleski_f.c index 2b9101ab80..951ed0cccb 100644 --- a/src/peigs/ctof/choleski_f.c +++ b/src/peigs/ctof/choleski_f.c @@ -1,5 +1,5 @@ /* - $Id: choleski_f.c,v 1.3 2005-10-16 19:43:50 edo Exp $ + $Id$ * * * diff --git a/src/peigs/ctof/inverse_f.c b/src/peigs/ctof/inverse_f.c index 16bbb3422b..d36fe5d2b9 100644 --- a/src/peigs/ctof/inverse_f.c +++ b/src/peigs/ctof/inverse_f.c @@ -1,5 +1,5 @@ /* - $Id: inverse_f.c,v 1.2 1999-07-28 00:39:07 d3e129 Exp $ + $Id$ * ************************************************** * * this is the Fortran interface to the diff --git a/src/peigs/ctof/mxm25_f.c b/src/peigs/ctof/mxm25_f.c index bebec414ad..0226253d2b 100644 --- a/src/peigs/ctof/mxm25_f.c +++ b/src/peigs/ctof/mxm25_f.c @@ -1,5 +1,5 @@ /* - $Id: mxm25_f.c,v 1.3 1999-07-28 00:39:07 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/ctof/mxm5x_f.c b/src/peigs/ctof/mxm5x_f.c index d70ac446db..c991f63ac6 100644 --- a/src/peigs/ctof/mxm5x_f.c +++ b/src/peigs/ctof/mxm5x_f.c @@ -1,5 +1,5 @@ /* - $Id: mxm5x_f.c,v 1.2 1999-07-28 00:39:07 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/ctof/mxm88_f.c b/src/peigs/ctof/mxm88_f.c index 1b580a8d90..cb4dcd6961 100644 --- a/src/peigs/ctof/mxm88_f.c +++ b/src/peigs/ctof/mxm88_f.c @@ -1,5 +1,5 @@ /* - $Id: mxm88_f.c,v 1.2 1999-07-28 00:39:08 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/ctof/onenorm_f.c b/src/peigs/ctof/onenorm_f.c index b5216cd9cf..7e230f5db8 100644 --- a/src/peigs/ctof/onenorm_f.c +++ b/src/peigs/ctof/onenorm_f.c @@ -1,5 +1,5 @@ /* - $Id: onenorm_f.c,v 1.2 1999-07-28 00:39:08 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/ctof/ortho_f.c b/src/peigs/ctof/ortho_f.c index 2ab3b90355..137984cf55 100644 --- a/src/peigs/ctof/ortho_f.c +++ b/src/peigs/ctof/ortho_f.c @@ -1,5 +1,5 @@ /* - $Id: ortho_f.c,v 1.3 2004-10-20 16:25:55 edo Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/ctof/pdspev_f.c b/src/peigs/ctof/pdspev_f.c index fd1978d86b..9ac98a869b 100644 --- a/src/peigs/ctof/pdspev_f.c +++ b/src/peigs/ctof/pdspev_f.c @@ -1,5 +1,5 @@ /* - $Id: pdspev_f.c,v 1.3 1999-07-28 00:39:08 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/ctof/pdspevx_f.c b/src/peigs/ctof/pdspevx_f.c index c4c6427cb8..51a8ff3a73 100644 --- a/src/peigs/ctof/pdspevx_f.c +++ b/src/peigs/ctof/pdspevx_f.c @@ -1,5 +1,5 @@ /* - $Id: pdspevx_f.c,v 1.3 1999-07-28 00:39:08 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/ctof/pdspgv_f.c b/src/peigs/ctof/pdspgv_f.c index 7ef9479816..44909848bf 100644 --- a/src/peigs/ctof/pdspgv_f.c +++ b/src/peigs/ctof/pdspgv_f.c @@ -1,5 +1,5 @@ /* - $Id: pdspgv_f.c,v 1.3 1999-07-28 00:39:08 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/ctof/pdspgvx_f.c b/src/peigs/ctof/pdspgvx_f.c index 679324a186..5c8a6e729c 100644 --- a/src/peigs/ctof/pdspgvx_f.c +++ b/src/peigs/ctof/pdspgvx_f.c @@ -1,5 +1,5 @@ /* - $Id: pdspgvx_f.c,v 1.3 1999-07-28 00:39:09 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/ctof/pdsptri_f.c b/src/peigs/ctof/pdsptri_f.c index 44916ff093..99849541c7 100644 --- a/src/peigs/ctof/pdsptri_f.c +++ b/src/peigs/ctof/pdsptri_f.c @@ -1,5 +1,5 @@ /* - $Id: pdsptri_f.c,v 1.3 1999-07-28 00:39:09 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/ctof/resid_f.c b/src/peigs/ctof/resid_f.c index fb0c46b978..0fce6ba1c8 100644 --- a/src/peigs/ctof/resid_f.c +++ b/src/peigs/ctof/resid_f.c @@ -1,5 +1,5 @@ /* - $Id: resid_f.c,v 1.2 1999-07-28 00:39:09 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/ctof/residual_f.c b/src/peigs/ctof/residual_f.c index d9d5d2d369..fe0aa96edb 100644 --- a/src/peigs/ctof/residual_f.c +++ b/src/peigs/ctof/residual_f.c @@ -1,5 +1,5 @@ /* - $Id: residual_f.c,v 1.2 1999-07-28 00:39:09 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/ctof/sonenorm_f.c b/src/peigs/ctof/sonenorm_f.c index a5e5a167ec..807713a528 100644 --- a/src/peigs/ctof/sonenorm_f.c +++ b/src/peigs/ctof/sonenorm_f.c @@ -1,5 +1,5 @@ /* - $Id: sonenorm_f.c,v 1.2 1999-07-28 00:39:09 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/ctof/tresid_f.c b/src/peigs/ctof/tresid_f.c index 3a35dd5c98..15ec7a9eb4 100644 --- a/src/peigs/ctof/tresid_f.c +++ b/src/peigs/ctof/tresid_f.c @@ -1,5 +1,5 @@ /* - $Id: tresid_f.c,v 1.2 1999-07-28 00:39:09 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/doc/GNUmakefile b/src/peigs/doc/GNUmakefile index ddb50617c8..2ab20bef27 100644 --- a/src/peigs/doc/GNUmakefile +++ b/src/peigs/doc/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.2 1999-07-28 00:39:10 d3e129 Exp $ +# $Id$ # diff --git a/src/peigs/example/GNUmakefile b/src/peigs/example/GNUmakefile index a7fe8008b6..69b51fa305 100644 --- a/src/peigs/example/GNUmakefile +++ b/src/peigs/example/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.10 1999-11-04 22:43:38 d3g270 Exp $ +# $Id$ # include ../../config/makefile.h diff --git a/src/peigs/example/dlamch.f b/src/peigs/example/dlamch.f index daa226f2c5..3f11d31c19 100644 --- a/src/peigs/example/dlamch.f +++ b/src/peigs/example/dlamch.f @@ -1,5 +1,5 @@ * -* $Id: dlamch.f,v 1.2 1999-07-28 00:39:11 d3e129 Exp $ +* $Id$ * DOUBLE PRECISION FUNCTION DLAMCH( CMACH ) * diff --git a/src/peigs/example/gendrv.F b/src/peigs/example/gendrv.F index 58752ed0ee..5996b151e6 100644 --- a/src/peigs/example/gendrv.F +++ b/src/peigs/example/gendrv.F @@ -1,5 +1,5 @@ * -* $Id: gendrv.F,v 1.3 1999-07-28 00:39:11 d3e129 Exp $ +* $Id$ * *====================================================================== * diff --git a/src/peigs/example/geneig2.c b/src/peigs/example/geneig2.c index 7080bf1e82..82dc93c49a 100644 --- a/src/peigs/example/geneig2.c +++ b/src/peigs/example/geneig2.c @@ -1,5 +1,5 @@ /* - $Id: geneig2.c,v 1.6 1999-07-28 00:39:11 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/example/geneig_la.c b/src/peigs/example/geneig_la.c index a58747e148..98916a93fa 100644 --- a/src/peigs/example/geneig_la.c +++ b/src/peigs/example/geneig_la.c @@ -1,5 +1,5 @@ /* - $Id: geneig_la.c,v 1.2 1999-07-28 00:39:11 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/example/lsame.f b/src/peigs/example/lsame.f index b0e8bdc492..ed8f316bcc 100644 --- a/src/peigs/example/lsame.f +++ b/src/peigs/example/lsame.f @@ -1,5 +1,5 @@ * -* $Id: lsame.f,v 1.2 1999-07-28 00:39:11 d3e129 Exp $ +* $Id$ * LOGICAL FUNCTION LSAME( CA, CB ) * diff --git a/src/peigs/example/p_copy_col.c b/src/peigs/example/p_copy_col.c index 74d85206ad..8a951705a2 100644 --- a/src/peigs/example/p_copy_col.c +++ b/src/peigs/example/p_copy_col.c @@ -1,5 +1,5 @@ /* - $Id: p_copy_col.c,v 1.2 1999-07-28 00:39:11 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/example/p_copy_matrix.c b/src/peigs/example/p_copy_matrix.c index a130f9fa2f..1bc6eab6d8 100644 --- a/src/peigs/example/p_copy_matrix.c +++ b/src/peigs/example/p_copy_matrix.c @@ -1,5 +1,5 @@ /* - $Id: p_copy_matrix.c,v 1.2 1999-07-28 00:39:12 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/example/prun b/src/peigs/example/prun index 0d29be7c96..24b3178a0d 100755 --- a/src/peigs/example/prun +++ b/src/peigs/example/prun @@ -1,6 +1,6 @@ #!/bin/csh # -# $Id: prun,v 1.2 1999-07-28 00:39:12 d3e129 Exp $ +# $Id$ # # # Script to run a parallel program on different systems diff --git a/src/peigs/example/run_test b/src/peigs/example/run_test index 5a18a3ec50..f7a61b7e29 100644 --- a/src/peigs/example/run_test +++ b/src/peigs/example/run_test @@ -1,5 +1,5 @@ # -# $Id: run_test,v 1.2 1999-07-28 00:39:12 d3e129 Exp $ +# $Id$ # # # Script to do test runs of $argv[1]. diff --git a/src/peigs/example/run_timing b/src/peigs/example/run_timing index 1328c74b0e..3917b83404 100755 --- a/src/peigs/example/run_timing +++ b/src/peigs/example/run_timing @@ -1,5 +1,5 @@ # -# $Id: run_timing,v 1.2 1999-07-28 00:39:15 d3e129 Exp $ +# $Id$ # # # Script to do timing runs of $argv[1]. diff --git a/src/peigs/example/runllv b/src/peigs/example/runllv index b96bf57eda..92db16e25c 100644 --- a/src/peigs/example/runllv +++ b/src/peigs/example/runllv @@ -7,7 +7,7 @@ # min_processors = number of processors # scrdisk = scratch directory # -# $Id: runllv,v 1.2 1999-07-28 00:39:15 d3e129 Exp $ +# $Id$ # # #@ data =geneig diff --git a/src/peigs/example/slamch.f b/src/peigs/example/slamch.f index 85c8104b81..11a79e4f80 100644 --- a/src/peigs/example/slamch.f +++ b/src/peigs/example/slamch.f @@ -1,5 +1,5 @@ * -* $Id: slamch.f,v 1.2 1999-07-28 00:39:15 d3e129 Exp $ +* $Id$ * REAL FUNCTION SLAMCH( CMACH ) * diff --git a/src/peigs/example/teslamch.f b/src/peigs/example/teslamch.f index 09dd03dd23..491ee8eae4 100644 --- a/src/peigs/example/teslamch.f +++ b/src/peigs/example/teslamch.f @@ -1,5 +1,5 @@ * -* $Id: teslamch.f,v 1.3 1999-07-28 00:39:15 d3e129 Exp $ +* $Id$ * *====================================================================== * diff --git a/src/peigs/example/tim_com.c b/src/peigs/example/tim_com.c index 81f51a9d54..1a1f7bd072 100644 --- a/src/peigs/example/tim_com.c +++ b/src/peigs/example/tim_com.c @@ -1,5 +1,5 @@ /* - $Id: tim_com.c,v 1.2 1999-07-28 00:39:15 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/example/tri_test.c b/src/peigs/example/tri_test.c index 2536288360..126083df6e 100644 --- a/src/peigs/example/tri_test.c +++ b/src/peigs/example/tri_test.c @@ -1,5 +1,5 @@ /* - $Id: tri_test.c,v 1.6 1999-11-04 22:43:38 d3g270 Exp $ + $Id$ *===================================================================== * * DISCLAIMER diff --git a/src/peigs/example/tsterr.c b/src/peigs/example/tsterr.c index 53f97ffbdd..60f9ab3be0 100644 --- a/src/peigs/example/tsterr.c +++ b/src/peigs/example/tsterr.c @@ -1,5 +1,5 @@ /* - $Id: tsterr.c,v 1.2 1999-07-28 00:39:15 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/example/wilk2.c b/src/peigs/example/wilk2.c index baafdf41e0..76c71d6e4d 100644 --- a/src/peigs/example/wilk2.c +++ b/src/peigs/example/wilk2.c @@ -1,5 +1,5 @@ /* - $Id: wilk2.c,v 1.5 1999-11-04 22:43:39 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/example/wilk3.c b/src/peigs/example/wilk3.c index 7bbb0e65d9..fb5a1c393f 100644 --- a/src/peigs/example/wilk3.c +++ b/src/peigs/example/wilk3.c @@ -1,5 +1,5 @@ /* - $Id: wilk3.c,v 1.2 1999-07-28 00:39:15 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/example/xerbla.f b/src/peigs/example/xerbla.f index a3109f2c95..f1e7a52700 100644 --- a/src/peigs/example/xerbla.f +++ b/src/peigs/example/xerbla.f @@ -1,5 +1,5 @@ * -* $Id: xerbla.f,v 1.2 1999-07-28 00:39:16 d3e129 Exp $ +* $Id$ * SUBROUTINE XERBLA( SRNAME, INFO ) * @@ -14,7 +14,7 @@ SUBROUTINE XERBLA( SRNAME, INFO ) * .. * c -* $Id: xerbla.f,v 1.2 1999-07-28 00:39:16 d3e129 Exp $ +* $Id$ c * Purpose * ======= diff --git a/src/peigs/h/blas_lapack.data b/src/peigs/h/blas_lapack.data index d34ba139aa..238ee01a17 100644 --- a/src/peigs/h/blas_lapack.data +++ b/src/peigs/h/blas_lapack.data @@ -1,5 +1,5 @@ * -* $Id: blas_lapack.data,v 1.16 2003-08-13 21:34:47 edo Exp $ +* $Id$ * #if defined(DECOSF) || defined(LINUX64) double precision DLAMCHE, DLAMCHP, DLAMCHS, DLAMCHU, DLAMCHB diff --git a/src/peigs/h/blas_lapack.h b/src/peigs/h/blas_lapack.h index b6134cc18b..1c3bf12f7f 100644 --- a/src/peigs/h/blas_lapack.h +++ b/src/peigs/h/blas_lapack.h @@ -1,5 +1,5 @@ /* - $Id: blas_lapack.h,v 1.25 2005-07-26 06:06:52 edo Exp $ + $Id$ c defines */ #define NO_EVEC 0 diff --git a/src/peigs/h/blas_lapackf.h b/src/peigs/h/blas_lapackf.h index b0737b281e..a0b9f54d76 100644 --- a/src/peigs/h/blas_lapackf.h +++ b/src/peigs/h/blas_lapackf.h @@ -1,5 +1,5 @@ * -* $Id: blas_lapackf.h,v 1.9 2002-04-23 18:37:22 edo Exp $ +* $Id$ * #ifdef IEEE diff --git a/src/peigs/h/clustr_inv.h b/src/peigs/h/clustr_inv.h index 72acf327dd..413cd571b4 100644 --- a/src/peigs/h/clustr_inv.h +++ b/src/peigs/h/clustr_inv.h @@ -1,5 +1,5 @@ /* - $Id: clustr_inv.h,v 1.2 1999-07-28 00:39:17 d3e129 Exp $ + $Id$ */ #define max(a,b) ((a) > (b) ? (a) : (b)) diff --git a/src/peigs/h/defines.h b/src/peigs/h/defines.h index 2ea96764fe..c863a98891 100644 --- a/src/peigs/h/defines.h +++ b/src/peigs/h/defines.h @@ -1,5 +1,5 @@ * -* $Id: defines.h,v 1.2 1999-07-28 00:39:17 d3e129 Exp $ +* $Id$ * c #define USESTDIN #ifdef USESTDIN diff --git a/src/peigs/h/globalp.c.h b/src/peigs/h/globalp.c.h index e055de0e0f..2e7c4782d4 100644 --- a/src/peigs/h/globalp.c.h +++ b/src/peigs/h/globalp.c.h @@ -1,5 +1,5 @@ /* - $Id: globalp.c.h,v 1.4 2000-02-28 21:56:02 d3g270 Exp $ + $Id$ file globalp.c.h */ diff --git a/src/peigs/h/peigs_types.h b/src/peigs/h/peigs_types.h index 1a7d3e5f8a..049d93ad29 100644 --- a/src/peigs/h/peigs_types.h +++ b/src/peigs/h/peigs_types.h @@ -1,4 +1,4 @@ -/* $Id: peigs_types.h,v 1.7 2005-10-16 19:43:57 edo Exp $ */ +/* $Id$ */ /* b_ortho.c */ void b_ortho (Integer *n, DoublePrecision **colB, Integer *mapB, Integer *m, DoublePrecision **colZ, Integer *mapZ, DoublePrecision **ibuffptr, Integer *iwork, DoublePrecision *work, DoublePrecision *ort, Integer *info); diff --git a/src/peigs/h/timing.h b/src/peigs/h/timing.h index 2dd63bfe6f..22f85bc0c7 100644 --- a/src/peigs/h/timing.h +++ b/src/peigs/h/timing.h @@ -1,4 +1,4 @@ -/* $Id: timing.h,v 1.2 1999-07-28 00:39:18 d3e129 Exp $ */ +/* $Id$ */ #include typedef struct TIMING_ { diff --git a/src/peigs/new_src/ga_pdspev.F b/src/peigs/new_src/ga_pdspev.F index fb84379001..c7ed7cec9d 100644 --- a/src/peigs/new_src/ga_pdspev.F +++ b/src/peigs/new_src/ga_pdspev.F @@ -1,5 +1,5 @@ * -* $Id: ga_pdspev.F,v 1.2 1999-07-28 00:39:18 d3e129 Exp $ +* $Id$ * c ga_pzheev c diff --git a/src/peigs/src/c/GNUmakefile b/src/peigs/src/c/GNUmakefile index f3f6f01581..a41683615f 100644 --- a/src/peigs/src/c/GNUmakefile +++ b/src/peigs/src/c/GNUmakefile @@ -1,4 +1,4 @@ -## $Id: GNUmakefile,v 1.28 2005-11-02 19:04:42 edo Exp $ +## $Id$ include ../../../config/makefile.h include ../../DEFS diff --git a/src/peigs/src/c/MakeFile b/src/peigs/src/c/MakeFile index 3862d2e981..d6ec306e14 100644 --- a/src/peigs/src/c/MakeFile +++ b/src/peigs/src/c/MakeFile @@ -1,5 +1,5 @@ # -# $Id: MakeFile,v 1.7 2004-10-20 17:52:25 edo Exp $ +# $Id$ # #!MESSAGE *** Unresolved issues in this nmake file *** @@ -91,7 +91,7 @@ LIBRARY = peigs.lib !IF 0 # -# $Id: MakeFile,v 1.7 2004-10-20 17:52:25 edo Exp $ +# $Id$ # include ../../DEFS diff --git a/src/peigs/src/c/Makefile.nwchem b/src/peigs/src/c/Makefile.nwchem index f2cf86ee06..ea0b025e23 100644 --- a/src/peigs/src/c/Makefile.nwchem +++ b/src/peigs/src/c/Makefile.nwchem @@ -1,5 +1,5 @@ # -# $Id: Makefile.nwchem,v 1.4 2004-10-20 17:52:25 edo Exp $ +# $Id$ # include ../../../config/makefile.h diff --git a/src/peigs/src/c/Makefile.proto b/src/peigs/src/c/Makefile.proto index f0d7c97afe..3f0e451d5e 100644 --- a/src/peigs/src/c/Makefile.proto +++ b/src/peigs/src/c/Makefile.proto @@ -1,5 +1,5 @@ # -# $Id: Makefile.proto,v 1.4 2004-10-20 17:52:25 edo Exp $ +# $Id$ # COBJ = clustrfix.o \ diff --git a/src/peigs/src/c/b_ortho.c b/src/peigs/src/c/b_ortho.c index 462dc380fe..091e487274 100644 --- a/src/peigs/src/c/b_ortho.c +++ b/src/peigs/src/c/b_ortho.c @@ -1,5 +1,5 @@ /* - $Id: b_ortho.c,v 1.7 2004-10-20 16:25:58 edo Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/chol_bcst.c b/src/peigs/src/c/chol_bcst.c index 9e384375c0..98f9859167 100644 --- a/src/peigs/src/c/chol_bcst.c +++ b/src/peigs/src/c/chol_bcst.c @@ -1,5 +1,5 @@ /* - $Id: chol_bcst.c,v 1.5 2000-02-28 21:41:43 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/choleski9.c b/src/peigs/src/c/choleski9.c index 62e48f6f7a..780303db1f 100644 --- a/src/peigs/src/c/choleski9.c +++ b/src/peigs/src/c/choleski9.c @@ -1,5 +1,5 @@ /* - $Id: choleski9.c,v 1.8 2005-10-16 19:43:57 edo Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/ci_entry.c b/src/peigs/src/c/ci_entry.c index 95d41fe0a6..595e173aa6 100644 --- a/src/peigs/src/c/ci_entry.c +++ b/src/peigs/src/c/ci_entry.c @@ -1,5 +1,5 @@ /* - $Id: ci_entry.c,v 1.5 2000-10-24 18:25:47 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/clustrf3.c b/src/peigs/src/c/clustrf3.c index a782f65b1a..fddab0a6e4 100644 --- a/src/peigs/src/c/clustrf3.c +++ b/src/peigs/src/c/clustrf3.c @@ -1,5 +1,5 @@ /* - $Id: clustrf3.c,v 1.3 1999-07-28 00:39:20 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/clustrf4.c b/src/peigs/src/c/clustrf4.c index d49a0485b4..64cc14d098 100644 --- a/src/peigs/src/c/clustrf4.c +++ b/src/peigs/src/c/clustrf4.c @@ -1,5 +1,5 @@ /* - $Id: clustrf4.c,v 1.10 1999-07-28 00:39:21 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/clustrf5.c b/src/peigs/src/c/clustrf5.c index 2a00db1853..3c982abbd4 100644 --- a/src/peigs/src/c/clustrf5.c +++ b/src/peigs/src/c/clustrf5.c @@ -1,5 +1,5 @@ /* - $Id: clustrf5.c,v 1.16 2003-12-31 02:14:32 nwchem Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/clustrfix.c b/src/peigs/src/c/clustrfix.c index 9f0bae1796..5778b5ce7e 100644 --- a/src/peigs/src/c/clustrfix.c +++ b/src/peigs/src/c/clustrfix.c @@ -1,5 +1,5 @@ /* - $Id: clustrfix.c,v 1.11 2003-12-31 02:14:32 nwchem Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/clustrxx3.c b/src/peigs/src/c/clustrxx3.c index f45af0b44c..2f36619c99 100644 --- a/src/peigs/src/c/clustrxx3.c +++ b/src/peigs/src/c/clustrxx3.c @@ -1,5 +1,5 @@ /* - $Id: clustrxx3.c,v 1.6 1999-07-28 00:39:21 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/clustrxx30.c b/src/peigs/src/c/clustrxx30.c index 6f53d2c8d0..62a75a5215 100644 --- a/src/peigs/src/c/clustrxx30.c +++ b/src/peigs/src/c/clustrxx30.c @@ -1,5 +1,5 @@ /* - $Id: clustrxx30.c,v 1.3 1999-07-28 00:39:21 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/clustrxx31.c b/src/peigs/src/c/clustrxx31.c index 980265e4df..4360ce8093 100644 --- a/src/peigs/src/c/clustrxx31.c +++ b/src/peigs/src/c/clustrxx31.c @@ -1,5 +1,5 @@ /* - $Id: clustrxx31.c,v 1.3 1999-07-28 00:39:22 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/clustrxx33.c b/src/peigs/src/c/clustrxx33.c index 84130d9460..11075fefcb 100644 --- a/src/peigs/src/c/clustrxx33.c +++ b/src/peigs/src/c/clustrxx33.c @@ -1,5 +1,5 @@ /* - $Id: clustrxx33.c,v 1.3 1999-07-28 00:39:22 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/clustrxx99.c b/src/peigs/src/c/clustrxx99.c index 59b180fc96..a899a139b6 100644 --- a/src/peigs/src/c/clustrxx99.c +++ b/src/peigs/src/c/clustrxx99.c @@ -1,5 +1,5 @@ /* - $Id: clustrxx99.c,v 1.3 1999-07-28 00:39:23 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/conjug22.c b/src/peigs/src/c/conjug22.c index 8ed118e12f..3f2d7b7342 100644 --- a/src/peigs/src/c/conjug22.c +++ b/src/peigs/src/c/conjug22.c @@ -1,5 +1,5 @@ /* - $Id: conjug22.c,v 1.5 2000-10-24 18:25:48 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/de_sym.c b/src/peigs/src/c/de_sym.c index 18e3a86d47..1493f53839 100644 --- a/src/peigs/src/c/de_sym.c +++ b/src/peigs/src/c/de_sym.c @@ -1,5 +1,5 @@ /* - $Id: de_sym.c,v 1.6 2000-10-24 18:25:48 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/exit.c b/src/peigs/src/c/exit.c index bbb908daf4..ea27e61336 100644 --- a/src/peigs/src/c/exit.c +++ b/src/peigs/src/c/exit.c @@ -1,5 +1,5 @@ /* - $Id: exit.c,v 1.6 2000-10-24 18:25:48 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/exit2.c b/src/peigs/src/c/exit2.c index f38323ae7f..ac6ab1fba8 100644 --- a/src/peigs/src/c/exit2.c +++ b/src/peigs/src/c/exit2.c @@ -1,5 +1,5 @@ /* - $Id: exit2.c,v 1.2 1999-07-28 00:39:23 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/forLL.c b/src/peigs/src/c/forLL.c index 44d43ff098..c570740ea3 100644 --- a/src/peigs/src/c/forLL.c +++ b/src/peigs/src/c/forLL.c @@ -1,5 +1,5 @@ /* - $Id: forLL.c,v 1.2 1999-07-28 00:39:23 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/forLU.c b/src/peigs/src/c/forLU.c index d2e127ec45..5d1a510b14 100644 --- a/src/peigs/src/c/forLU.c +++ b/src/peigs/src/c/forLU.c @@ -1,5 +1,5 @@ /* - $Id: forLU.c,v 1.2 1999-07-28 00:39:23 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/gmax.c b/src/peigs/src/c/gmax.c index e42862b290..c479633f1c 100644 --- a/src/peigs/src/c/gmax.c +++ b/src/peigs/src/c/gmax.c @@ -1,5 +1,5 @@ /* - $Id: gmax.c,v 1.3 2000-10-24 18:25:48 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/inv_it3.c b/src/peigs/src/c/inv_it3.c index 08f51e8044..759016932e 100644 --- a/src/peigs/src/c/inv_it3.c +++ b/src/peigs/src/c/inv_it3.c @@ -1,5 +1,5 @@ /* - $Id: inv_it3.c,v 1.9 2000-05-22 23:11:06 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/inv_it44.c b/src/peigs/src/c/inv_it44.c index 76532b479c..a98f671f80 100644 --- a/src/peigs/src/c/inv_it44.c +++ b/src/peigs/src/c/inv_it44.c @@ -1,5 +1,5 @@ /* - $Id: inv_it44.c,v 1.3 1999-07-28 00:39:24 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/inv_it6.c b/src/peigs/src/c/inv_it6.c index 00b883e359..3f1c4dd627 100644 --- a/src/peigs/src/c/inv_it6.c +++ b/src/peigs/src/c/inv_it6.c @@ -1,5 +1,5 @@ /* - $Id: inv_it6.c,v 1.3 1999-07-28 00:39:25 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/inverse.c b/src/peigs/src/c/inverse.c index c7c4a793b2..ce8f2c5535 100644 --- a/src/peigs/src/c/inverse.c +++ b/src/peigs/src/c/inverse.c @@ -1,5 +1,5 @@ /* - $Id: inverse.c,v 1.6 2005-10-16 19:43:57 edo Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/lu_mxm2.c b/src/peigs/src/c/lu_mxm2.c index a2f20e3af3..26adbef418 100644 --- a/src/peigs/src/c/lu_mxm2.c +++ b/src/peigs/src/c/lu_mxm2.c @@ -1,5 +1,5 @@ /* - $Id: lu_mxm2.c,v 1.4 2005-10-16 19:43:57 edo Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/mapchk.c b/src/peigs/src/c/mapchk.c index 46fbb25e14..42d1f558cf 100644 --- a/src/peigs/src/c/mapchk.c +++ b/src/peigs/src/c/mapchk.c @@ -1,5 +1,5 @@ /* - $Id: mapchk.c,v 1.2 1999-07-28 00:39:25 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/mapdif.c b/src/peigs/src/c/mapdif.c index c6d53efd5f..9ea8788625 100644 --- a/src/peigs/src/c/mapdif.c +++ b/src/peigs/src/c/mapdif.c @@ -1,5 +1,5 @@ /* - $Id: mapdif.c,v 1.3 2004-10-20 18:05:34 edo Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/mapdif1.c b/src/peigs/src/c/mapdif1.c index 7f2c54382f..66c447fb41 100644 --- a/src/peigs/src/c/mapdif1.c +++ b/src/peigs/src/c/mapdif1.c @@ -1,5 +1,5 @@ /* - $Id: mapdif1.c,v 1.3 2004-10-20 18:05:34 edo Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/matmax.c b/src/peigs/src/c/matmax.c index 058ba87415..86d9d98f84 100644 --- a/src/peigs/src/c/matmax.c +++ b/src/peigs/src/c/matmax.c @@ -1,5 +1,5 @@ /* - $Id: matmax.c,v 1.2 1999-07-28 00:39:26 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/mdif2b.c b/src/peigs/src/c/mdif2b.c index 947e87c77e..42c0261075 100644 --- a/src/peigs/src/c/mdif2b.c +++ b/src/peigs/src/c/mdif2b.c @@ -1,5 +1,5 @@ /* - $Id: mdif2b.c,v 1.2 1999-07-28 00:39:26 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/mdiff1.c b/src/peigs/src/c/mdiff1.c index 42d03f1a91..66c510219e 100644 --- a/src/peigs/src/c/mdiff1.c +++ b/src/peigs/src/c/mdiff1.c @@ -1,5 +1,5 @@ /* - $Id: mdiff1.c,v 1.2 1999-07-28 00:39:26 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/mdiff2.c b/src/peigs/src/c/mdiff2.c index 07d05cf7db..a14beaaaa0 100644 --- a/src/peigs/src/c/mdiff2.c +++ b/src/peigs/src/c/mdiff2.c @@ -1,5 +1,5 @@ /* - $Id: mdiff2.c,v 1.2 1999-07-28 00:39:26 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/memreq.c b/src/peigs/src/c/memreq.c index 3c901676ca..f7a6947375 100644 --- a/src/peigs/src/c/memreq.c +++ b/src/peigs/src/c/memreq.c @@ -1,5 +1,5 @@ /* - $Id: memreq.c,v 1.21 2000-02-28 21:41:45 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/memreq2.c b/src/peigs/src/c/memreq2.c index 489de3f58c..ab16fc9dd0 100644 --- a/src/peigs/src/c/memreq2.c +++ b/src/peigs/src/c/memreq2.c @@ -1,5 +1,5 @@ /* - $Id: memreq2.c,v 1.3 1999-07-28 00:39:26 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/memreq_eval.c b/src/peigs/src/c/memreq_eval.c index fe75ba6a30..366b684047 100644 --- a/src/peigs/src/c/memreq_eval.c +++ b/src/peigs/src/c/memreq_eval.c @@ -1,5 +1,5 @@ /* - $Id: memreq_eval.c,v 1.3 1999-07-28 00:39:27 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/memreq_f.c b/src/peigs/src/c/memreq_f.c index 30df144caa..28cbe720db 100644 --- a/src/peigs/src/c/memreq_f.c +++ b/src/peigs/src/c/memreq_f.c @@ -1,5 +1,5 @@ /* - $Id: memreq_f.c,v 1.7 1999-10-28 17:11:13 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/mgs4.c b/src/peigs/src/c/mgs4.c index de34278763..601f89e206 100644 --- a/src/peigs/src/c/mgs4.c +++ b/src/peigs/src/c/mgs4.c @@ -1,5 +1,5 @@ /* - $Id: mgs4.c,v 1.3 2000-02-28 21:41:45 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/mgs5.c b/src/peigs/src/c/mgs5.c index e479c1898f..1696dfbf3a 100644 --- a/src/peigs/src/c/mgs5.c +++ b/src/peigs/src/c/mgs5.c @@ -1,5 +1,5 @@ /* - $Id: mgs5.c,v 1.12 2000-10-24 18:25:49 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/mgscs.c b/src/peigs/src/c/mgscs.c index a98ece515a..0f261b7fd6 100644 --- a/src/peigs/src/c/mgscs.c +++ b/src/peigs/src/c/mgscs.c @@ -1,5 +1,5 @@ /* - $Id: mgscs.c,v 1.13 2005-10-16 19:43:57 edo Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/mxm25.c b/src/peigs/src/c/mxm25.c index b45271198d..59ef4ee26f 100644 --- a/src/peigs/src/c/mxm25.c +++ b/src/peigs/src/c/mxm25.c @@ -1,5 +1,5 @@ /* - $Id: mxm25.c,v 1.5 2000-10-24 18:25:50 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/mxm5x.c b/src/peigs/src/c/mxm5x.c index 6c1d578ed1..6d1c310777 100644 --- a/src/peigs/src/c/mxm5x.c +++ b/src/peigs/src/c/mxm5x.c @@ -1,5 +1,5 @@ /* - $Id: mxm5x.c,v 1.5 2005-10-16 19:43:57 edo Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/mxm88.c b/src/peigs/src/c/mxm88.c index 2853734b3d..cc260c44c2 100644 --- a/src/peigs/src/c/mxm88.c +++ b/src/peigs/src/c/mxm88.c @@ -1,5 +1,5 @@ /* - $Id: mxm88.c,v 1.4 2005-10-16 19:43:57 edo Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/mxm_ll1.c b/src/peigs/src/c/mxm_ll1.c index 53f79b6e6d..eab78d715e 100644 --- a/src/peigs/src/c/mxm_ll1.c +++ b/src/peigs/src/c/mxm_ll1.c @@ -1,5 +1,5 @@ /* - $Id: mxm_ll1.c,v 1.4 2005-10-16 19:43:57 edo Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/onenorm.c b/src/peigs/src/c/onenorm.c index 8636e22e4b..b783da81d4 100644 --- a/src/peigs/src/c/onenorm.c +++ b/src/peigs/src/c/onenorm.c @@ -1,5 +1,5 @@ /* - $Id: onenorm.c,v 1.2 1999-07-28 00:39:28 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/ortho.c b/src/peigs/src/c/ortho.c index 1fa64a34c9..5d1c49ed52 100644 --- a/src/peigs/src/c/ortho.c +++ b/src/peigs/src/c/ortho.c @@ -1,5 +1,5 @@ /* - $Id: ortho.c,v 1.6 2004-10-20 16:25:58 edo Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/ortho2.c b/src/peigs/src/c/ortho2.c index 72c93ef54f..afb05419c3 100644 --- a/src/peigs/src/c/ortho2.c +++ b/src/peigs/src/c/ortho2.c @@ -1,5 +1,5 @@ /* - $Id: ortho2.c,v 1.1 2000-03-22 20:00:26 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/pdcomplex.c b/src/peigs/src/c/pdcomplex.c index 74861182e4..c5c69a13c9 100644 --- a/src/peigs/src/c/pdcomplex.c +++ b/src/peigs/src/c/pdcomplex.c @@ -1,5 +1,5 @@ /* - $Id: pdcomplex.c,v 1.3 1999-07-28 00:39:29 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/pdiff.c b/src/peigs/src/c/pdiff.c index 615c3e03c5..5624aa8ffd 100644 --- a/src/peigs/src/c/pdiff.c +++ b/src/peigs/src/c/pdiff.c @@ -1,5 +1,5 @@ /* - $Id: pdiff.c,v 1.3 1999-07-28 00:39:29 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/pdspev_c.c b/src/peigs/src/c/pdspev_c.c index b0c106a48d..c8d5c7dbed 100644 --- a/src/peigs/src/c/pdspev_c.c +++ b/src/peigs/src/c/pdspev_c.c @@ -1,5 +1,5 @@ /* - $Id: pdspev_c.c,v 1.9 2000-10-24 18:25:51 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/pdspeval.c b/src/peigs/src/c/pdspeval.c index ddcde1fd43..bc9d99633b 100644 --- a/src/peigs/src/c/pdspeval.c +++ b/src/peigs/src/c/pdspeval.c @@ -1,5 +1,5 @@ /* - $Id: pdspeval.c,v 1.4 2004-10-19 21:55:10 edo Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/pdspevx.c b/src/peigs/src/c/pdspevx.c index da779976ad..72d22ce24f 100644 --- a/src/peigs/src/c/pdspevx.c +++ b/src/peigs/src/c/pdspevx.c @@ -1,5 +1,5 @@ /* - $Id: pdspevx.c,v 1.43 2004-10-26 15:48:58 edo Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/pdspgv_c.c b/src/peigs/src/c/pdspgv_c.c index eded32f380..28803abeda 100644 --- a/src/peigs/src/c/pdspgv_c.c +++ b/src/peigs/src/c/pdspgv_c.c @@ -1,5 +1,5 @@ /* - $Id: pdspgv_c.c,v 1.6 2000-10-24 18:25:51 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/pdspgvx.c b/src/peigs/src/c/pdspgvx.c index 815314ffb5..26a4e12c20 100644 --- a/src/peigs/src/c/pdspgvx.c +++ b/src/peigs/src/c/pdspgvx.c @@ -1,5 +1,5 @@ /* - $Id: pdspgvx.c,v 1.9 2000-10-24 18:25:52 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/pdsptri.c b/src/peigs/src/c/pdsptri.c index eba6f1f4e3..03d0d25b30 100644 --- a/src/peigs/src/c/pdsptri.c +++ b/src/peigs/src/c/pdsptri.c @@ -1,5 +1,5 @@ /* - $Id: pdsptri.c,v 1.6 2000-10-24 18:25:52 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/pdsptri2.c b/src/peigs/src/c/pdsptri2.c index 630e630568..c5ee082e26 100644 --- a/src/peigs/src/c/pdsptri2.c +++ b/src/peigs/src/c/pdsptri2.c @@ -1,5 +1,5 @@ /* - $Id: pdsptri2.c,v 1.3 1999-07-28 00:39:31 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/peigs_cmod.f b/src/peigs/src/c/peigs_cmod.f index 609e12d5e0..45a257a03f 100644 --- a/src/peigs/src/c/peigs_cmod.f +++ b/src/peigs/src/c/peigs_cmod.f @@ -1,5 +1,5 @@ * -* $Id: peigs_cmod.f,v 1.4 1999-07-28 00:39:31 d3e129 Exp $ +* $Id$ * *====================================================================== * diff --git a/src/peigs/src/c/peigs_dlasq1.c b/src/peigs/src/c/peigs_dlasq1.c index af987c309a..b1c78c3b07 100644 --- a/src/peigs/src/c/peigs_dlasq1.c +++ b/src/peigs/src/c/peigs_dlasq1.c @@ -1,5 +1,5 @@ /* - $Id: peigs_dlasq1.c,v 1.9 2000-10-24 21:23:14 d3g270 Exp $ + $Id$ */ #include diff --git a/src/peigs/src/c/peigs_tldlfact.c b/src/peigs/src/c/peigs_tldlfact.c index 4c391a1876..3be64759d5 100644 --- a/src/peigs/src/c/peigs_tldlfact.c +++ b/src/peigs/src/c/peigs_tldlfact.c @@ -1,5 +1,5 @@ /* - $Id: peigs_tldlfact.c,v 1.8 2004-10-20 17:52:26 edo Exp $ + $Id$ */ #include diff --git a/src/peigs/src/c/perl.script b/src/peigs/src/c/perl.script index 472d823fd9..1fdbc7bb91 100644 --- a/src/peigs/src/c/perl.script +++ b/src/peigs/src/c/perl.script @@ -1,6 +1,6 @@ #! /bin/csh # -# $Id: perl.script,v 1.2 1999-07-28 00:39:32 d3e129 Exp $ +# $Id$ # perl -pi.bak -e 's/\b dlamch_("base") \b/DLAMCHB/g' *.c diff --git a/src/peigs/src/c/pgexit.c b/src/peigs/src/c/pgexit.c index eefc4b18dc..ae1e42a7cd 100644 --- a/src/peigs/src/c/pgexit.c +++ b/src/peigs/src/c/pgexit.c @@ -1,5 +1,5 @@ /* - $Id: pgexit.c,v 1.3 1999-07-28 00:39:33 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/pipe_fut.c b/src/peigs/src/c/pipe_fut.c index 612cda5e2d..4441a13858 100644 --- a/src/peigs/src/c/pipe_fut.c +++ b/src/peigs/src/c/pipe_fut.c @@ -1,5 +1,5 @@ /* - $Id: pipe_fut.c,v 1.3 2000-10-24 18:25:52 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/pmmLSL.c b/src/peigs/src/c/pmmLSL.c index bcd295f792..cdbf496fd3 100644 --- a/src/peigs/src/c/pmmLSL.c +++ b/src/peigs/src/c/pmmLSL.c @@ -1,5 +1,5 @@ /* - $Id: pmmLSL.c,v 1.4 2000-10-24 18:25:52 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/pmmLUL.c b/src/peigs/src/c/pmmLUL.c index 5bac405b8e..3a47fb06d7 100644 --- a/src/peigs/src/c/pmmLUL.c +++ b/src/peigs/src/c/pmmLUL.c @@ -1,5 +1,5 @@ /* - $Id: pmmLUL.c,v 1.2 1999-07-28 00:39:33 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/pmmlsl2.c b/src/peigs/src/c/pmmlsl2.c index 875e0c0b82..118f54326e 100644 --- a/src/peigs/src/c/pmmlsl2.c +++ b/src/peigs/src/c/pmmlsl2.c @@ -1,5 +1,5 @@ /* - $Id: pmmlsl2.c,v 1.3 2000-10-24 18:25:53 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/pscale.c b/src/peigs/src/c/pscale.c index fb9a72ca42..75569c7181 100644 --- a/src/peigs/src/c/pscale.c +++ b/src/peigs/src/c/pscale.c @@ -1,5 +1,5 @@ /* - $Id: pscale.c,v 1.8 2004-10-20 17:52:26 edo Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/pstebz10.c b/src/peigs/src/c/pstebz10.c index 2c6df97ca8..68ecc91398 100644 --- a/src/peigs/src/c/pstebz10.c +++ b/src/peigs/src/c/pstebz10.c @@ -1,5 +1,5 @@ /* - $Id: pstebz10.c,v 1.31 2004-10-20 17:52:26 edo Exp $ + $Id$ *======================================================================dstebz * * DISCLAIMER diff --git a/src/peigs/src/c/pstebz11.c b/src/peigs/src/c/pstebz11.c index 225f17d4b7..0fcfc220b3 100644 --- a/src/peigs/src/c/pstebz11.c +++ b/src/peigs/src/c/pstebz11.c @@ -1,5 +1,5 @@ /* - $Id: pstebz11.c,v 1.7 2004-10-20 17:52:26 edo Exp $ + $Id$ *====================================================================== * * DISCLAIMR diff --git a/src/peigs/src/c/pstebz9.c b/src/peigs/src/c/pstebz9.c index 3aa8f98591..c5e59a23ee 100644 --- a/src/peigs/src/c/pstebz9.c +++ b/src/peigs/src/c/pstebz9.c @@ -1,5 +1,5 @@ /* - $Id: pstebz9.c,v 1.9 1999-07-28 00:39:34 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/pstein3.c b/src/peigs/src/c/pstein3.c index a3c83dc2ed..d313052722 100644 --- a/src/peigs/src/c/pstein3.c +++ b/src/peigs/src/c/pstein3.c @@ -1,5 +1,5 @@ /* - $Id: pstein3.c,v 1.3 1999-07-28 00:39:34 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/pstein4.c b/src/peigs/src/c/pstein4.c index 59b1395ce4..b0cba90fa4 100644 --- a/src/peigs/src/c/pstein4.c +++ b/src/peigs/src/c/pstein4.c @@ -1,6 +1,6 @@ /* - $Id: pstein4.c,v 1.16 2000-10-24 18:25:53 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/pstein44.c b/src/peigs/src/c/pstein44.c index 3db3104775..ee5d59ba83 100644 --- a/src/peigs/src/c/pstein44.c +++ b/src/peigs/src/c/pstein44.c @@ -1,5 +1,5 @@ /* - $Id: pstein44.c,v 1.3 1999-07-28 00:39:35 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/pstein5.c b/src/peigs/src/c/pstein5.c index 56a8b077d0..c529feccc8 100644 --- a/src/peigs/src/c/pstein5.c +++ b/src/peigs/src/c/pstein5.c @@ -1,5 +1,5 @@ /* - $Id: pstein5.c,v 1.15 2000-10-24 18:25:54 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/pxerbla.c b/src/peigs/src/c/pxerbla.c index f9eaa772ca..f7cd8b6746 100644 --- a/src/peigs/src/c/pxerbla.c +++ b/src/peigs/src/c/pxerbla.c @@ -1,5 +1,5 @@ /* - $Id: pxerbla.c,v 1.4 2005-10-16 19:43:57 edo Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/qsort.c b/src/peigs/src/c/qsort.c index 0f2cab742b..a2f98cac3d 100644 --- a/src/peigs/src/c/qsort.c +++ b/src/peigs/src/c/qsort.c @@ -1,5 +1,5 @@ /* - $Id: qsort.c,v 1.2 1999-07-28 00:39:35 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/reducemap.c b/src/peigs/src/c/reducemap.c index 0fde100ae4..c1ab98aa68 100644 --- a/src/peigs/src/c/reducemap.c +++ b/src/peigs/src/c/reducemap.c @@ -1,5 +1,5 @@ /* - $Id: reducemap.c,v 1.3 2000-02-28 21:41:48 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/resid.c b/src/peigs/src/c/resid.c index 8bf18aa9e9..57a4aba22b 100644 --- a/src/peigs/src/c/resid.c +++ b/src/peigs/src/c/resid.c @@ -1,5 +1,5 @@ /* - $Id: resid.c,v 1.4 1999-07-28 00:39:35 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/residual.c b/src/peigs/src/c/residual.c index e0a17e5594..3d19f13452 100644 --- a/src/peigs/src/c/residual.c +++ b/src/peigs/src/c/residual.c @@ -1,5 +1,5 @@ /* - $Id: residual.c,v 1.4 2000-10-24 18:25:54 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/sfnorm.c b/src/peigs/src/c/sfnorm.c index 2162de9a36..62033af803 100644 --- a/src/peigs/src/c/sfnorm.c +++ b/src/peigs/src/c/sfnorm.c @@ -1,5 +1,5 @@ /* - $Id: sfnorm.c,v 1.6 2000-10-24 18:25:54 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/shellsort.c b/src/peigs/src/c/shellsort.c index 76527332ee..3803495879 100644 --- a/src/peigs/src/c/shellsort.c +++ b/src/peigs/src/c/shellsort.c @@ -1,5 +1,5 @@ /* - $Id: shellsort.c,v 1.3 2000-02-28 21:41:48 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/soluf.c b/src/peigs/src/c/soluf.c index 812c155920..beabf6ad9b 100644 --- a/src/peigs/src/c/soluf.c +++ b/src/peigs/src/c/soluf.c @@ -1,5 +1,5 @@ /* - $Id: soluf.c,v 1.4 2000-10-24 18:25:54 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/sonenorm.c b/src/peigs/src/c/sonenorm.c index b1b191627f..55ee096451 100644 --- a/src/peigs/src/c/sonenorm.c +++ b/src/peigs/src/c/sonenorm.c @@ -1,5 +1,5 @@ /* - $Id: sonenorm.c,v 1.5 1999-07-28 00:39:36 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/soort.c b/src/peigs/src/c/soort.c index 566e8f422e..5760ad051d 100644 --- a/src/peigs/src/c/soort.c +++ b/src/peigs/src/c/soort.c @@ -1,5 +1,5 @@ /* - $Id: soort.c,v 1.2 1999-07-28 00:39:36 d3e129 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/sort.c b/src/peigs/src/c/sort.c index d7e963b658..039a57c913 100644 --- a/src/peigs/src/c/sort.c +++ b/src/peigs/src/c/sort.c @@ -1,5 +1,5 @@ /* - $Id: sort.c,v 1.3 2000-10-24 18:25:55 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/sorteig.c b/src/peigs/src/c/sorteig.c index b92338b88d..91ddabeca5 100644 --- a/src/peigs/src/c/sorteig.c +++ b/src/peigs/src/c/sorteig.c @@ -1,5 +1,5 @@ /* - $Id: sorteig.c,v 1.4 2000-02-28 21:41:48 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/tred22.c b/src/peigs/src/c/tred22.c index cc757f975c..4644eba130 100644 --- a/src/peigs/src/c/tred22.c +++ b/src/peigs/src/c/tred22.c @@ -1,5 +1,5 @@ /* - $Id: tred22.c,v 1.8 2005-10-16 19:43:57 edo Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/treesort3.c b/src/peigs/src/c/treesort3.c index 3cc9bd1b05..219e03ce43 100644 --- a/src/peigs/src/c/treesort3.c +++ b/src/peigs/src/c/treesort3.c @@ -1,5 +1,5 @@ /* - $Id: treesort3.c,v 1.3 2000-10-24 18:25:55 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/tresid.c b/src/peigs/src/c/tresid.c index 3466f41365..e4d39b7784 100644 --- a/src/peigs/src/c/tresid.c +++ b/src/peigs/src/c/tresid.c @@ -1,5 +1,5 @@ /* - $Id: tresid.c,v 1.9 1999-11-05 06:47:05 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/util.c b/src/peigs/src/c/util.c index 94540c0590..27e9ad6b58 100644 --- a/src/peigs/src/c/util.c +++ b/src/peigs/src/c/util.c @@ -1,5 +1,5 @@ /* - $Id: util.c,v 1.5 2002-05-17 19:10:01 d3g270 Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/c/xerbla.c b/src/peigs/src/c/xerbla.c index e7aa4cb51c..23b4d27ee4 100644 --- a/src/peigs/src/c/xerbla.c +++ b/src/peigs/src/c/xerbla.c @@ -1,5 +1,5 @@ /* - $Id: xerbla.c,v 1.3 2004-10-20 16:25:58 edo Exp $ + $Id$ *====================================================================== * * DISCLAIMER diff --git a/src/peigs/src/f77/GNUmakefile b/src/peigs/src/f77/GNUmakefile index 3dae080a23..e4005de2fa 100644 --- a/src/peigs/src/f77/GNUmakefile +++ b/src/peigs/src/f77/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.25 2005-11-10 02:06:04 edo Exp $ +# $Id$ # include ../../../config/makefile.h diff --git a/src/peigs/src/f77/MakeFile b/src/peigs/src/f77/MakeFile index 0bc0763a8d..e964ad073b 100644 --- a/src/peigs/src/f77/MakeFile +++ b/src/peigs/src/f77/MakeFile @@ -1,5 +1,5 @@ # -# $Id: MakeFile,v 1.6 2004-10-22 01:15:28 edo Exp $ +# $Id$ # #!MESSAGE *** Unresolved issues in this nmake file *** diff --git a/src/peigs/src/f77/Makefile.nwchem b/src/peigs/src/f77/Makefile.nwchem index 5cbceb21a7..50892c135b 100644 --- a/src/peigs/src/f77/Makefile.nwchem +++ b/src/peigs/src/f77/Makefile.nwchem @@ -1,5 +1,5 @@ # -# $Id: Makefile.nwchem,v 1.4 2004-10-22 01:15:28 edo Exp $ +# $Id$ # include ../../../config/makefile.h diff --git a/src/peigs/src/f77/Makefile.proto b/src/peigs/src/f77/Makefile.proto index 1aa844f37e..7115a6fc0d 100644 --- a/src/peigs/src/f77/Makefile.proto +++ b/src/peigs/src/f77/Makefile.proto @@ -1,5 +1,5 @@ # -# $Id: Makefile.proto,v 1.4 2004-10-22 01:15:28 edo Exp $ +# $Id$ # ifeq ($(peigs_CODEOBJ),DBLE) diff --git a/src/peigs/src/f77/damax.f b/src/peigs/src/f77/damax.f index 7d4291a67f..a4ae688822 100644 --- a/src/peigs/src/f77/damax.f +++ b/src/peigs/src/f77/damax.f @@ -1,5 +1,5 @@ * -* $Id: damax.f,v 1.4 1999-07-28 00:39:44 d3e129 Exp $ +* $Id$ * *====================================================================== * diff --git a/src/peigs/src/f77/dcmpgamma.f b/src/peigs/src/f77/dcmpgamma.f index e9043333f7..4ad85fbe02 100644 --- a/src/peigs/src/f77/dcmpgamma.f +++ b/src/peigs/src/f77/dcmpgamma.f @@ -1,5 +1,5 @@ * -* $Id: dcmpgamma.f,v 1.2 1999-07-28 00:39:44 d3e129 Exp $ +* $Id$ * SUBROUTINE DCMPGAMMA( LAMBDA, DELTA, N, B1, BN, L, D, diff --git a/src/peigs/src/f77/dgetavec.F b/src/peigs/src/f77/dgetavec.F index 12e9819be4..df5a338291 100644 --- a/src/peigs/src/f77/dgetavec.F +++ b/src/peigs/src/f77/dgetavec.F @@ -1,5 +1,5 @@ * -* $Id: dgetavec.F,v 1.17 2000-10-24 18:41:39 d3g270 Exp $ +* $Id$ * #include "blas_lapackf.h" c diff --git a/src/peigs/src/f77/dgetavec.f.old b/src/peigs/src/f77/dgetavec.f.old index 9a19fae70d..e14656eb09 100644 --- a/src/peigs/src/f77/dgetavec.f.old +++ b/src/peigs/src/f77/dgetavec.f.old @@ -1,5 +1,5 @@ * -* $Id: dgetavec.f.old,v 1.2 1999-07-28 00:39:45 d3e129 Exp $ +* $Id$ * c SUBROUTINE DDSTQDS( LAMBDA, DELTA, N, B1, BN, L, D, diff --git a/src/peigs/src/f77/dgetavec2.f b/src/peigs/src/f77/dgetavec2.f index da522b09f7..48eda512c3 100644 --- a/src/peigs/src/f77/dgetavec2.f +++ b/src/peigs/src/f77/dgetavec2.f @@ -1,5 +1,5 @@ * -* $Id: dgetavec2.f,v 1.3 2000-10-24 18:41:39 d3g270 Exp $ +* $Id$ * SUBROUTINE DGETAVEC2( iii, LAMBDA, DELTA, N, $ B1, BN, L, D, LD, diff --git a/src/peigs/src/f77/dgetavec3.f b/src/peigs/src/f77/dgetavec3.f index e3b75e464f..4c5dfb57bc 100644 --- a/src/peigs/src/f77/dgetavec3.f +++ b/src/peigs/src/f77/dgetavec3.f @@ -1,5 +1,5 @@ * -* $Id: dgetavec3.f,v 1.3 2000-10-24 18:41:39 d3g270 Exp $ +* $Id$ * SUBROUTINE DGETAVEC3( LAMBDA, DELTA, N, B1, BN, L, D, LD, $ LLD, LPLUS, diff --git a/src/peigs/src/f77/dgetavec4.F b/src/peigs/src/f77/dgetavec4.F index 42ecbbb364..430a325790 100644 --- a/src/peigs/src/f77/dgetavec4.F +++ b/src/peigs/src/f77/dgetavec4.F @@ -1,5 +1,5 @@ * -* $Id: dgetavec4.F,v 1.1 2000-02-28 21:43:14 d3g270 Exp $ +* $Id$ * #include "blas_lapackf.h" c diff --git a/src/peigs/src/f77/dlaebz2.F b/src/peigs/src/f77/dlaebz2.F index 88593e2b6b..dcde901e6d 100644 --- a/src/peigs/src/f77/dlaebz2.F +++ b/src/peigs/src/f77/dlaebz2.F @@ -1,5 +1,5 @@ * -* $Id: dlaebz2.F,v 1.4 2003-09-05 22:24:32 edo Exp $ +* $Id$ * *====================================================================== * diff --git a/src/peigs/src/f77/dqdbisec.f b/src/peigs/src/f77/dqdbisec.f index 702c047cfd..f575f5fee4 100644 --- a/src/peigs/src/f77/dqdbisec.f +++ b/src/peigs/src/f77/dqdbisec.f @@ -1,5 +1,5 @@ * -* $Id: dqdbisec.f,v 1.2 1999-07-28 00:39:49 d3e129 Exp $ +* $Id$ * SUBROUTINE DQDBISEC( RANGE, N, B1, BN, VL, VU, IL, IU, $ L, D, LD, LLD, diff --git a/src/peigs/src/f77/dspevx2.F b/src/peigs/src/f77/dspevx2.F index 8d03d07e4c..cf68ddbe52 100644 --- a/src/peigs/src/f77/dspevx2.F +++ b/src/peigs/src/f77/dspevx2.F @@ -1,5 +1,5 @@ * -* $Id: dspevx2.F,v 1.7 2002-04-18 20:34:31 d3g270 Exp $ +* $Id$ * #include "blas_lapackf.h" *====================================================================== diff --git a/src/peigs/src/f77/dspgv2.f b/src/peigs/src/f77/dspgv2.f index 482ef05554..b1f2f1295b 100644 --- a/src/peigs/src/f77/dspgv2.f +++ b/src/peigs/src/f77/dspgv2.f @@ -1,5 +1,5 @@ * -* $Id: dspgv2.f,v 1.4 1999-07-28 00:39:49 d3e129 Exp $ +* $Id$ * *====================================================================== * diff --git a/src/peigs/src/f77/dstebz3.F b/src/peigs/src/f77/dstebz3.F index f91908643e..0fb09f21a9 100644 --- a/src/peigs/src/f77/dstebz3.F +++ b/src/peigs/src/f77/dstebz3.F @@ -1,5 +1,5 @@ * -* $Id: dstebz3.F,v 1.9 2002-04-23 18:37:22 edo Exp $ +* $Id$ * #include "blas_lapackf.h" SUBROUTINE DSTEBZ3( RANGE1, ORDER1, N, VL, VU, IL, IU, diff --git a/src/peigs/src/f77/heapsort.f b/src/peigs/src/f77/heapsort.f index 818b02b8c9..c70c51d7c7 100644 --- a/src/peigs/src/f77/heapsort.f +++ b/src/peigs/src/f77/heapsort.f @@ -1,5 +1,5 @@ * -* $Id: heapsort.f,v 1.3 1999-07-28 00:39:50 d3e129 Exp $ +* $Id$ * *====================================================================== * diff --git a/src/peigs/src/f77/menode.f b/src/peigs/src/f77/menode.f index df64715da4..0dd0be8731 100644 --- a/src/peigs/src/f77/menode.f +++ b/src/peigs/src/f77/menode.f @@ -1,5 +1,5 @@ * -* $Id: menode.f,v 1.3 1999-07-28 00:39:50 d3e129 Exp $ +* $Id$ * *====================================================================== * diff --git a/src/peigs/src/f77/neblw2.F b/src/peigs/src/f77/neblw2.F index 70c3e472d0..00f1ae6d48 100644 --- a/src/peigs/src/f77/neblw2.F +++ b/src/peigs/src/f77/neblw2.F @@ -1,5 +1,5 @@ * -* $Id: neblw2.F,v 1.4 1999-07-28 00:39:50 d3e129 Exp $ +* $Id$ * #include "blas_lapackf.h" *====================================================================== diff --git a/src/peigs/src/f77/pairup.f b/src/peigs/src/f77/pairup.f index 493b8ecedf..b400eafa4f 100644 --- a/src/peigs/src/f77/pairup.f +++ b/src/peigs/src/f77/pairup.f @@ -1,5 +1,5 @@ * -* $Id: pairup.f,v 1.5 1999-07-28 00:39:50 d3e129 Exp $ +* $Id$ * *====================================================================== * diff --git a/src/peigs/src/f77/perl.script b/src/peigs/src/f77/perl.script index 41213342d2..1d77fb9d01 100644 --- a/src/peigs/src/f77/perl.script +++ b/src/peigs/src/f77/perl.script @@ -1,5 +1,5 @@ #! /bin/csh -# $Id: perl.script,v 1.2 1999-07-28 00:39:50 d3e129 Exp $ +# $Id$ # perl -pi.bak -e 's/\bDLAMCH( 'U' )\b/DLAMCHU/g' *.c diff --git a/src/peigs/src/f77/samax.f b/src/peigs/src/f77/samax.f index fc7d03bb56..60232938a6 100644 --- a/src/peigs/src/f77/samax.f +++ b/src/peigs/src/f77/samax.f @@ -1,5 +1,5 @@ * -* $Id: samax.f,v 1.4 1999-07-28 00:39:50 d3e129 Exp $ +* $Id$ * *====================================================================== * diff --git a/src/peigs/src/f77/sheapsort.f b/src/peigs/src/f77/sheapsort.f index e2b894d257..6cab84cfce 100644 --- a/src/peigs/src/f77/sheapsort.f +++ b/src/peigs/src/f77/sheapsort.f @@ -1,5 +1,5 @@ * -* $Id: sheapsort.f,v 1.4 1999-07-28 00:39:50 d3e129 Exp $ +* $Id$ * *====================================================================== * diff --git a/src/peigs/src/f77/slaebz.F b/src/peigs/src/f77/slaebz.F index 06c9f9695f..202cf06dfc 100644 --- a/src/peigs/src/f77/slaebz.F +++ b/src/peigs/src/f77/slaebz.F @@ -1,5 +1,5 @@ * -* $Id: slaebz.F,v 1.3 2003-09-05 22:24:32 edo Exp $ +* $Id$ * SUBROUTINE SLAEBZ( IJOB, NITMAX, N, MMAX, MINP, NBMIN, ABSTOL, $ RELTOL, PIVMIN, D, E, E2, NVAL, AB, C, MOUT, diff --git a/src/peigs/src/f77/slaebz2.F b/src/peigs/src/f77/slaebz2.F index b62c392049..91f4d466fe 100644 --- a/src/peigs/src/f77/slaebz2.F +++ b/src/peigs/src/f77/slaebz2.F @@ -1,5 +1,5 @@ * -* $Id: slaebz2.F,v 1.3 2003-09-05 22:24:32 edo Exp $ +* $Id$ * *====================================================================== * diff --git a/src/peigs/src/f77/sneblw2.F b/src/peigs/src/f77/sneblw2.F index 81d82dd7e9..9ae6c4f626 100644 --- a/src/peigs/src/f77/sneblw2.F +++ b/src/peigs/src/f77/sneblw2.F @@ -1,5 +1,5 @@ * -* $Id: sneblw2.F,v 1.4 1999-07-28 00:39:51 d3e129 Exp $ +* $Id$ * #include "blas_lapackf.h" *====================================================================== diff --git a/src/peigs/src/f77/sstebz3.F b/src/peigs/src/f77/sstebz3.F index b3b3f10f5d..c8023fa517 100644 --- a/src/peigs/src/f77/sstebz3.F +++ b/src/peigs/src/f77/sstebz3.F @@ -1,5 +1,5 @@ * -* $Id: sstebz3.F,v 1.10 2003-09-05 22:24:32 edo Exp $ +* $Id$ * #include "blas_lapackf.h" SUBROUTINE SSTEBZ3( RANGE1, ORDER1, N, VL, VU, IL, IU, diff --git a/src/peigs/src/f77/types.f b/src/peigs/src/f77/types.f index 17e1d4eda1..2987adb794 100644 --- a/src/peigs/src/f77/types.f +++ b/src/peigs/src/f77/types.f @@ -1,5 +1,5 @@ * -* $Id: types.f,v 1.2 1999-07-28 00:39:51 d3e129 Exp $ +* $Id$ * subroutine type1(a,b,alpha,beta,q,e,NIN,NDIM,record) C diff --git a/src/peigs/src/f77/types1.f b/src/peigs/src/f77/types1.f index 7f5e9032a4..2406f4ca23 100644 --- a/src/peigs/src/f77/types1.f +++ b/src/peigs/src/f77/types1.f @@ -1,5 +1,5 @@ * -* $Id: types1.f,v 1.3 2000-10-24 18:41:40 d3g270 Exp $ +* $Id$ * subroutine types1(a,b,alpha,beta,q,e,NIN,NDIM) C diff --git a/src/peigs/src/f77/xerbl2.f b/src/peigs/src/f77/xerbl2.f index 32434008bf..2ef360f9f3 100644 --- a/src/peigs/src/f77/xerbl2.f +++ b/src/peigs/src/f77/xerbl2.f @@ -1,5 +1,5 @@ * -* $Id: xerbl2.f,v 1.4 1999-07-28 00:39:51 d3e129 Exp $ +* $Id$ * *====================================================================== * diff --git a/src/peigs/src/f77/xstop.f b/src/peigs/src/f77/xstop.f index d46e839f1f..8e1a9830a6 100644 --- a/src/peigs/src/f77/xstop.f +++ b/src/peigs/src/f77/xstop.f @@ -1,5 +1,5 @@ * -* $Id: xstop.f,v 1.4 1999-07-28 00:39:51 d3e129 Exp $ +* $Id$ * *====================================================================== * diff --git a/src/perfm/GNUmakefile b/src/perfm/GNUmakefile index ac42d107bf..dafbb0560b 100644 --- a/src/perfm/GNUmakefile +++ b/src/perfm/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.4 2006-05-23 18:33:05 edo Exp $ +# $Id$ # LIBRARY = libperfm.a diff --git a/src/perfm/perfm.fh b/src/perfm/perfm.fh index 1330917f71..86363170bb 100644 --- a/src/perfm/perfm.fh +++ b/src/perfm/perfm.fh @@ -1,5 +1,5 @@ c -c $Id: perfm.fh,v 1.4 2006-04-26 00:04:52 edo Exp $ +c $Id$ c #include "errquit.fh" #include "mafdecls.fh" diff --git a/src/perfm/perfm_end.F b/src/perfm/perfm_end.F index 00a16a074d..498644eea1 100644 --- a/src/perfm/perfm_end.F +++ b/src/perfm/perfm_end.F @@ -1,5 +1,5 @@ c -c $Id: perfm_end.F,v 1.7 2006-05-12 00:10:58 edo Exp $ +c $Id$ c subroutine perfm_end() implicit none diff --git a/src/perfm/perfm_flop.F b/src/perfm/perfm_flop.F index df3401e932..5a5a7d91cb 100644 --- a/src/perfm/perfm_flop.F +++ b/src/perfm/perfm_flop.F @@ -1,5 +1,5 @@ c -c $Id: perfm_flop.F,v 1.2 2004-10-18 20:32:06 edo Exp $ +c $Id$ c double precision function perfm_flop() implicit none diff --git a/src/perfm/perfm_start.F b/src/perfm/perfm_start.F index c48a901cef..84f42be4a7 100644 --- a/src/perfm/perfm_start.F +++ b/src/perfm/perfm_start.F @@ -1,5 +1,5 @@ c -c $Id: perfm_start.F,v 1.7 2006-05-19 01:04:49 edo Exp $ +c $Id$ c subroutine perfm_start() implicit none diff --git a/src/pstat/GNUmakefile b/src/pstat/GNUmakefile index 2160ff134b..d5cbe9769f 100644 --- a/src/pstat/GNUmakefile +++ b/src/pstat/GNUmakefile @@ -1,4 +1,4 @@ -# $Id: GNUmakefile,v 1.15 2001-08-28 00:54:37 edo Exp $ +# $Id$ LIBRARY = libnwcutil.a diff --git a/src/pstat/pstat.fh b/src/pstat/pstat.fh index ea9c9cbf4f..c5593da244 100644 --- a/src/pstat/pstat.fh +++ b/src/pstat/pstat.fh @@ -3,7 +3,7 @@ C NAME C pstat.fh -- functions and constants for pstat routines C C REVISION -C $Id: pstat.fh,v 1.1 1994-07-14 21:33:26 gg502 Exp $ +C $Id$ C::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::: Logical PStat_Init, PStat_Terminate, PStat_Allocate, PStat_Free External PStat_Init, PStat_Terminate, PStat_Allocate, PStat_Free diff --git a/src/pstat/pstatP.fh b/src/pstat/pstatP.fh index d5a9926353..e0c0d3e4a3 100644 --- a/src/pstat/pstatP.fh +++ b/src/pstat/pstatP.fh @@ -3,7 +3,7 @@ C NAME C pstatP.fh -- Private include file for performance statistics routines C C REVISION -C $Id: pstatP.fh,v 1.3 2004-10-15 01:59:42 edo Exp $ +C $Id$ C::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::: #include "pstat_consts.fh" C diff --git a/src/pstat/pstat_alloc.F b/src/pstat/pstat_alloc.F index 8ccff045b5..96a5e03243 100644 --- a/src/pstat/pstat_alloc.F +++ b/src/pstat/pstat_alloc.F @@ -1,6 +1,6 @@ Logical Function PStat_Allocate( Name, Functions, NAcc, $ Accums, Handle ) -C$Id: pstat_alloc.F,v 1.2 1996-10-22 08:31:14 d3g681 Exp $ +C$Id$ Implicit NONE Character*(*) Name Integer Functions, Handle, NAcc, Accums(*) diff --git a/src/pstat/pstat_consts.fh b/src/pstat/pstat_consts.fh index 222a658364..7defacadce 100644 --- a/src/pstat/pstat_consts.fh +++ b/src/pstat/pstat_consts.fh @@ -3,7 +3,7 @@ C NAME C pstat_consts.fh -- constants for pstat routines C C REVISION -C $Id: pstat_consts.fh,v 1.1 1994-07-14 21:33:29 gg502 Exp $ +C $Id$ C::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::::: Integer PStat_Nr_Stats Parameter (PStat_Nr_Stats = 1 ) diff --git a/src/pstat/pstat_free.F b/src/pstat/pstat_free.F index 37e164a9f0..798b7e8c16 100644 --- a/src/pstat/pstat_free.F +++ b/src/pstat/pstat_free.F @@ -1,5 +1,5 @@ Logical Function PStat_Free( Handle ) -C$Id: pstat_free.F,v 1.7 2005-08-19 19:17:39 edo Exp $ +C$Id$ Implicit NONE #include "errquit.fh" Integer Handle diff --git a/src/pstat/pstat_init.F b/src/pstat/pstat_init.F index d75203ca72..450e3db44f 100644 --- a/src/pstat/pstat_init.F +++ b/src/pstat/pstat_init.F @@ -1,5 +1,5 @@ Logical Function PStat_Init(Max_Timers, NAcc, AccNames) -C$Id: pstat_init.F,v 1.3 1995-02-02 23:20:56 d3g681 Exp $ +C$Id$ Implicit NONE Integer Max_Timers, NAcc Character*(80) AccNames diff --git a/src/pstat/pstat_off.F b/src/pstat/pstat_off.F index d1ee474634..1bc5fca15d 100644 --- a/src/pstat/pstat_off.F +++ b/src/pstat/pstat_off.F @@ -1,5 +1,5 @@ Subroutine PStat_Off( Handle ) -C$Id: pstat_off.F,v 1.11 2004-10-15 01:59:42 edo Exp $ +C$Id$ Implicit NONE #include "errquit.fh" Integer Handle diff --git a/src/pstat/pstat_on.F b/src/pstat/pstat_on.F index f84ae9773b..7b52830bce 100644 --- a/src/pstat/pstat_on.F +++ b/src/pstat/pstat_on.F @@ -1,5 +1,5 @@ Subroutine PStat_On( Handle ) -C$Id: pstat_on.F,v 1.11 2004-10-15 01:59:42 edo Exp $ +C$Id$ Implicit NONE #include "errquit.fh" Integer Handle diff --git a/src/pstat/pstat_pr_all.F b/src/pstat/pstat_pr_all.F index bee2a0fc00..b6cc9c5a92 100644 --- a/src/pstat/pstat_pr_all.F +++ b/src/pstat/pstat_pr_all.F @@ -1,5 +1,5 @@ Subroutine PStat_Print_All -C$Id: pstat_pr_all.F,v 1.8 2004-12-16 23:02:14 edo Exp $ +C$Id$ Implicit NONE C #include "pstatP.fh" diff --git a/src/pstat/pstat_pr_det.F b/src/pstat/pstat_pr_det.F index 07bd95bdff..e146223a4f 100644 --- a/src/pstat/pstat_pr_det.F +++ b/src/pstat/pstat_pr_det.F @@ -1,5 +1,5 @@ Subroutine PStat_Print_Detail(handles,n_handles) -c $Id: pstat_pr_det.F,v 1.4 2004-12-01 02:15:26 edo Exp $ +c $Id$ Implicit NONE #include "errquit.fh" C diff --git a/src/pstat/pstat_pr_han.F b/src/pstat/pstat_pr_han.F index 879daac57b..2435cc6b77 100644 --- a/src/pstat/pstat_pr_han.F +++ b/src/pstat/pstat_pr_han.F @@ -1,5 +1,5 @@ Subroutine PStat_Print_Handles(handles,n_handles) -c $Id: pstat_pr_han.F,v 1.2 2004-12-01 02:15:26 edo Exp $ +c $Id$ Implicit NONE C #include "pstatP.fh" diff --git a/src/pstat/pstat_term.F b/src/pstat/pstat_term.F index 176e236210..6cbfecec3b 100644 --- a/src/pstat/pstat_term.F +++ b/src/pstat/pstat_term.F @@ -1,5 +1,5 @@ Logical Function PStat_Terminate() -C$Id: pstat_term.F,v 1.1 1995-12-13 01:36:36 d3g681 Exp $ +C$Id$ Implicit NONE C #include "pstatP.fh" diff --git a/src/qhop/GNUmakefile b/src/qhop/GNUmakefile index 893cbf61ea..fd30267e5c 100644 --- a/src/qhop/GNUmakefile +++ b/src/qhop/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.2 2003-08-11 19:43:18 d3j191 Exp $ +# $Id$ # # OBJ_OPTIMIZE=qhop_setup.o qhop_asite.o qhop_dsite.o qhop_prob.o qhop_init.o qhop_pindex.o qhop_final.o diff --git a/src/qhop/qhop_asite.F b/src/qhop/qhop_asite.F index 0795a4fbb1..f57db29bb7 100644 --- a/src/qhop/qhop_asite.F +++ b/src/qhop/qhop_asite.F @@ -1,7 +1,7 @@ subroutine qhop_asite(msa,xs,idon,idong,resd,istatd,iacc, + iaccg,resa,istata,xacc,doff,aoff,flada) c -c $Id: qhop_asite.F,v 1.5 2006-09-20 18:45:13 d3p307 Exp $ +c $Id$ c implicit none c @@ -29,7 +29,7 @@ subroutine qhop_asite2(msa,xs,idon,idong,resd,istatd,iacc, + ptseq,ptarat,arat,deq,aneq,ptpar,tunnel,defe12,zpef, + tdsgl,tstval,e12fxy) c -c $Id: qhop_asite.F,v 1.5 2006-09-20 18:45:13 d3p307 Exp $ +c $Id$ c implicit none c diff --git a/src/qhop/qhop_common.fh b/src/qhop/qhop_common.fh index bfc48c9afc..eeb695d8fa 100644 --- a/src/qhop/qhop_common.fh +++ b/src/qhop/qhop_common.fh @@ -1,4 +1,4 @@ -c $Id: qhop_common.fh,v 1.3 2005-10-03 20:40:26 edo Exp $ +c $Id$ c c #include "bitops_decls.fh" diff --git a/src/qhop/qhop_dsite.F b/src/qhop/qhop_dsite.F index df47e14d0b..641e28188c 100644 --- a/src/qhop/qhop_dsite.F +++ b/src/qhop/qhop_dsite.F @@ -1,6 +1,6 @@ subroutine qhop_dsite(ga,rsa,rind) c -c $Id: qhop_dsite.F,v 1.2 2003-08-11 19:43:18 d3j191 Exp $ +c $Id$ c implicit none c @@ -22,7 +22,7 @@ subroutine qhop_dsite2(ga,rsa,rind, + ptseq,ptarat,arat,deq,aneq,ptpar,tunnel,defe12,zpef, + tdsgl,tstval,e12fxy) c -c $Id: qhop_dsite.F,v 1.2 2003-08-11 19:43:18 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/qhop/qhop_final.F b/src/qhop/qhop_final.F index 6681df9563..cadcff957a 100644 --- a/src/qhop/qhop_final.F +++ b/src/qhop/qhop_final.F @@ -1,6 +1,6 @@ subroutine qhop_alloc c -c $Id: qhop_final.F,v 1.7 2003-10-27 20:37:39 marat Exp $ +c $Id$ c implicit none c diff --git a/src/qhop/qhop_init.F b/src/qhop/qhop_init.F index 91789be183..c3f12c770d 100644 --- a/src/qhop/qhop_init.F +++ b/src/qhop/qhop_init.F @@ -1,6 +1,6 @@ subroutine qhop_init(lfntop,filtop,lfnout,me) c -c $Id: qhop_init.F,v 1.4 2003-10-27 20:37:39 marat Exp $ +c $Id$ c implicit none c @@ -103,7 +103,7 @@ subroutine qhop_init2(lfntop,lfnout,me, + ptseq,ptarat,arat,deq,aneq,ptpar,tunnel,defe12,zpef, + tdsgl,tstval,e12fxy) c -c $Id: qhop_init.F,v 1.4 2003-10-27 20:37:39 marat Exp $ +c $Id$ c implicit none c diff --git a/src/qhop/qhop_newpc.F b/src/qhop/qhop_newpc.F index 4342130d85..f765ac6ff3 100644 --- a/src/qhop/qhop_newpc.F +++ b/src/qhop/qhop_newpc.F @@ -1,6 +1,6 @@ subroutine qhop_newpc(xr,xacc,xhydr,dist,alpha,xnew) c -c $Id: qhop_newpc.F,v 1.1 2003-07-17 19:36:52 d3j191 Exp $ +c $Id$ c The new coordinates of the proton, after its eventual transfer, c are determined. c diff --git a/src/qhop/qhop_prob.F b/src/qhop/qhop_prob.F index f590cefa2e..ed81cfe4a3 100644 --- a/src/qhop/qhop_prob.F +++ b/src/qhop/qhop_prob.F @@ -25,7 +25,7 @@ subroutine qhop_prob2(gd,rsd,prd,ga,rsa,pra,uda,dang,prob, + ptseq,ptarat,arat,deq,aneq,ptpar,tunnel,defe12,zpef, + tdsgl,tstval,e12fxy,e120) c -c $Id: qhop_prob.F,v 1.7 2006-09-18 15:45:00 d3j191 Exp $ +c $Id$ c c c The hopping probability prob is calculated given the difference in diff --git a/src/qhop/qhop_setup.F b/src/qhop/qhop_setup.F index 03497d95d2..6185e8f5c7 100644 --- a/src/qhop/qhop_setup.F +++ b/src/qhop/qhop_setup.F @@ -2,7 +2,7 @@ subroutine qhop_setup(lfnhdb,lfntop, + mparms,nparms,matm,natm,mseq,nseq, + catm,latm,cseq,lseq,mbnd,nbnd,lbnd,rbnd,mang,nang,lang,rang) c -c $Id: qhop_setup.F,v 1.8 2003-08-19 21:02:03 d3j191 Exp $ +c $Id$ c implicit none c @@ -37,7 +37,7 @@ subroutine qhop_setup2(lfnhdb,lfntop, + ptseq,ptarat,arat,deq,aneq,ptpar,tunnel,defe12,zpef, + tdsgl,tstval,e12fxy) c -c $Id: qhop_setup.F,v 1.8 2003-08-19 21:02:03 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/qhop/qhop_setup_good.F b/src/qhop/qhop_setup_good.F index d6afc1e31e..b810bb0deb 100644 --- a/src/qhop/qhop_setup_good.F +++ b/src/qhop/qhop_setup_good.F @@ -1,7 +1,7 @@ subroutine qhop_setup(mparms,nparms,matm,natm,mseq,nseq, + catm,latm,cseq,lseq,mbnd,nbnd,lbnd,rbnd,mang,nang,lang,rang) c -c $Id: qhop_setup_good.F,v 1.1 2003-07-17 19:36:52 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/qhop/qhop_setup_tj.F b/src/qhop/qhop_setup_tj.F index f8e7381c5e..3606b0a6c0 100644 --- a/src/qhop/qhop_setup_tj.F +++ b/src/qhop/qhop_setup_tj.F @@ -1,7 +1,7 @@ subroutine qhop_setup(mparms,nparms,matm,natm,mseq,nseq, + catm,latm,cseq,lseq) c -c $Id: qhop_setup_tj.F,v 1.1 2003-07-17 19:36:52 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/qmd/GNUmakefile b/src/qmd/GNUmakefile index 6c81c053bb..769700771c 100644 --- a/src/qmd/GNUmakefile +++ b/src/qmd/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.1 2000-10-24 02:37:35 d3j191 Exp $ +# $Id$ # OBJ_OPTIMIZE = qmd_start.o qmd_main.o diff --git a/src/qmd/qmd_common.fh b/src/qmd/qmd_common.fh index 66ed7be5e1..9923994495 100644 --- a/src/qmd/qmd_common.fh +++ b/src/qmd/qmd_common.fh @@ -1,5 +1,5 @@ c -c $Id: qmd_common.fh,v 1.1 2000-10-24 02:37:35 d3j191 Exp $ +c $Id$ c integer lgeom,igeom,jdebug common/qmd_int/lgeom,igeom,jdebug diff --git a/src/qmd/qmd_main.F b/src/qmd/qmd_main.F index f6a645ad46..a0dafed973 100644 --- a/src/qmd/qmd_main.F +++ b/src/qmd/qmd_main.F @@ -1,6 +1,6 @@ subroutine qmd_forces(irtdb,isag,isat,xs,fs,msa,nsa,energy,lesp) c -c $Id: qmd_main.F,v 1.3 2003-10-17 22:58:06 carlfahl Exp $ +c $Id$ c implicit none #include "errquit.fh" diff --git a/src/qmd/qmd_start.F b/src/qmd/qmd_start.F index f02cac5026..53fe6e27a6 100644 --- a/src/qmd/qmd_start.F +++ b/src/qmd/qmd_start.F @@ -1,6 +1,6 @@ subroutine qmd_start() c -c $Id: qmd_start.F,v 1.2 2003-10-17 22:58:06 carlfahl Exp $ +c $Id$ c implicit none c diff --git a/src/qmmm/GNUmakefile b/src/qmmm/GNUmakefile index 8f002cf99c..6f1ab9d421 100644 --- a/src/qmmm/GNUmakefile +++ b/src/qmmm/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.30 2006-05-26 18:21:49 marat Exp $ +# $Id$ # diff --git a/src/qmmm/mm_interface.F b/src/qmmm/mm_interface.F index 4192e10f2c..5f879966a1 100644 --- a/src/qmmm/mm_interface.F +++ b/src/qmmm/mm_interface.F @@ -1,5 +1,5 @@ c -c $Id: mm_interface.F,v 1.91 2007-10-09 17:11:21 marat Exp $ +c $Id$ c subroutine mm_init(irtdb0) implicit none diff --git a/src/qmmm/mm_utils.fh b/src/qmmm/mm_utils.fh index 9df1665a26..d923f6e1b2 100644 --- a/src/qmmm/mm_utils.fh +++ b/src/qmmm/mm_utils.fh @@ -1,5 +1,5 @@ c -c $Id: mm_utils.fh,v 1.10 2005-10-12 00:46:32 marat Exp $ +c $Id$ c logical mm_quant external mm_quant diff --git a/src/qmmm/qmmm.F b/src/qmmm/qmmm.F index de29281897..7e0bde6939 100644 --- a/src/qmmm/qmmm.F +++ b/src/qmmm/qmmm.F @@ -1,5 +1,5 @@ c -c $Id: qmmm.F,v 1.70 2007-10-15 15:32:42 bert Exp $ +c $Id$ c c function task_qmmm_generic(rtdb,operation) diff --git a/src/qmmm/qmmm.fh b/src/qmmm/qmmm.fh index 2d6f43f802..d40ce20ecd 100644 --- a/src/qmmm/qmmm.fh +++ b/src/qmmm/qmmm.fh @@ -1,5 +1,5 @@ c -c $Id: qmmm.fh,v 1.30 2006-02-22 01:12:07 marat Exp $ +c $Id$ c integer qmmm_get_nlink integer qmmm_get_nbq diff --git a/src/qmmm/qmmm_bq.F b/src/qmmm/qmmm_bq.F index 841e69d398..37ba587f20 100644 --- a/src/qmmm/qmmm_bq.F +++ b/src/qmmm/qmmm_bq.F @@ -1,5 +1,5 @@ c -c $Id: qmmm_bq.F,v 1.16 2008-09-05 18:35:06 marat Exp $ +c $Id$ c c subroutine qmmm_bq_energy_gen(rtdb,n,c,q,e) diff --git a/src/qmmm/qmmm_bq_data.fh b/src/qmmm/qmmm_bq_data.fh index 169f5b518c..169d6e9122 100644 --- a/src/qmmm/qmmm_bq_data.fh +++ b/src/qmmm/qmmm_bq_data.fh @@ -1,5 +1,5 @@ c -c $Id: qmmm_bq_data.fh,v 1.9 2005-12-16 02:18:07 marat Exp $ +c $Id$ c integer bq_exclude integer nbqa diff --git a/src/qmmm/qmmm_cons.F b/src/qmmm/qmmm_cons.F index a6f23606a0..f482f09196 100644 --- a/src/qmmm/qmmm_cons.F +++ b/src/qmmm/qmmm_cons.F @@ -1,5 +1,5 @@ c -c $Id: qmmm_cons.F,v 1.21 2006-02-09 07:53:25 marat Exp $ +c $Id$ c c subroutine qmmm_cons_init(irtdb) diff --git a/src/qmmm/qmmm_cons_data.fh b/src/qmmm/qmmm_cons_data.fh index abe872169e..171d0529d2 100644 --- a/src/qmmm/qmmm_cons_data.fh +++ b/src/qmmm/qmmm_cons_data.fh @@ -1,5 +1,5 @@ c -c $Id: qmmm_cons_data.fh,v 1.1 2005-08-16 22:09:42 marat Exp $ +c $Id$ c integer nacts,nactw integer i_acts,h_acts diff --git a/src/qmmm/qmmm_data.fh b/src/qmmm/qmmm_data.fh index bc12dbbb56..9588f9f3ab 100644 --- a/src/qmmm/qmmm_data.fh +++ b/src/qmmm/qmmm_data.fh @@ -1,5 +1,5 @@ c -c $Id: qmmm_data.fh,v 1.24 2006-02-22 01:12:07 marat Exp $ +c $Id$ c logical master logical oprint_debug diff --git a/src/qmmm/qmmm_esp.F b/src/qmmm/qmmm_esp.F index 7ea324d3c5..087606c1a3 100644 --- a/src/qmmm/qmmm_esp.F +++ b/src/qmmm/qmmm_esp.F @@ -1,5 +1,5 @@ c -c $Id: qmmm_esp.F,v 1.26 2006-04-09 07:18:57 marat Exp $ +c $Id$ c c function task_qmmm_esp(rtdb) @@ -971,7 +971,7 @@ subroutine qmmm_esp_input_file(rtdb) logical function nw_inp_from_unit(rtdb,un) * -* $Id: qmmm_esp.F,v 1.26 2006-04-09 07:18:57 marat Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/qmmm/qmmm_geom.F b/src/qmmm/qmmm_geom.F index 389d70abbe..c0ef148e93 100644 --- a/src/qmmm/qmmm_geom.F +++ b/src/qmmm/qmmm_geom.F @@ -1,5 +1,5 @@ c -c $Id: qmmm_geom.F,v 1.91 2006-05-28 00:18:03 marat Exp $ +c $Id$ c subroutine qmmm_geom_init(irtdb,ageom) implicit none diff --git a/src/qmmm/qmmm_geom_data.fh b/src/qmmm/qmmm_geom_data.fh index 6b7a71fbf3..67b95bb0f8 100644 --- a/src/qmmm/qmmm_geom_data.fh +++ b/src/qmmm/qmmm_geom_data.fh @@ -1,5 +1,5 @@ c -c $Id: qmmm_geom_data.fh,v 1.3 2005-06-15 05:39:00 marat Exp $ +c $Id$ c character*256 oldgeom logical aux_geom diff --git a/src/qmmm/qmmm_lbfgsb.F b/src/qmmm/qmmm_lbfgsb.F index 74d38bc69d..e006789090 100644 --- a/src/qmmm/qmmm_lbfgsb.F +++ b/src/qmmm/qmmm_lbfgsb.F @@ -1,5 +1,5 @@ * -* $Id: qmmm_lbfgsb.F,v 1.11 2008-12-04 17:01:00 d3p852 Exp $ +* $Id$ * c Modified lbfgs driver for use with QMMM c diff --git a/src/qmmm/qmmm_link.F b/src/qmmm/qmmm_link.F index 7102b5aadc..368f6c5041 100644 --- a/src/qmmm/qmmm_link.F +++ b/src/qmmm/qmmm_link.F @@ -1,5 +1,5 @@ c -c $Id: qmmm_link.F,v 1.5 2005-12-03 00:53:54 marat Exp $ +c $Id$ c subroutine qmmm_links_init(irtdb) implicit none diff --git a/src/qmmm/qmmm_link_data.fh b/src/qmmm/qmmm_link_data.fh index 9249a3f6bf..85c20f4839 100644 --- a/src/qmmm/qmmm_link_data.fh +++ b/src/qmmm/qmmm_link_data.fh @@ -1,5 +1,5 @@ c -c $Id: qmmm_link_data.fh,v 1.1 2005-06-02 19:59:04 marat Exp $ +c $Id$ c integer link_atom integer nlink,nps diff --git a/src/qmmm/qmmm_main.F b/src/qmmm/qmmm_main.F index 9ddaf346ea..c6efce25b5 100644 --- a/src/qmmm/qmmm_main.F +++ b/src/qmmm/qmmm_main.F @@ -1,7 +1,7 @@ subroutine qmmm_forces(inrtdb,mwm,nwm,mwa,nwa,iwz,xw,fw, + msa,nsa,isat,isdt,isq,isz,xs,fs,energy) c -c $Id: qmmm_main.F,v 1.45 2005-12-16 02:18:07 marat Exp $ +c $Id$ c implicit none #include "errquit.fh" diff --git a/src/qmmm/qmmm_output.F b/src/qmmm/qmmm_output.F index ee5787ccfd..e2934100a2 100644 --- a/src/qmmm/qmmm_output.F +++ b/src/qmmm/qmmm_output.F @@ -1,5 +1,5 @@ c -c $Id: qmmm_output.F,v 1.23 2006-03-07 23:15:51 marat Exp $ +c $Id$ c c subroutine qmmm_print_header() diff --git a/src/qmmm/qmmm_params.fh b/src/qmmm/qmmm_params.fh index 7bfa70c6d6..c08de4af4f 100644 --- a/src/qmmm/qmmm_params.fh +++ b/src/qmmm/qmmm_params.fh @@ -1,5 +1,5 @@ c -c $Id: qmmm_params.fh,v 1.10 2006-02-14 01:08:56 marat Exp $ +c $Id$ c c c atom type parameters diff --git a/src/qmmm/qmmm_pes.F b/src/qmmm/qmmm_pes.F index 6427357448..0a028439d9 100644 --- a/src/qmmm/qmmm_pes.F +++ b/src/qmmm/qmmm_pes.F @@ -1,9 +1,9 @@ c -c $Id: qmmm_pes.F,v 1.15 2009-02-03 18:14:53 marat Exp $ +c $Id$ c c function task_qmmm_pes(irtdb) -c $Id: qmmm_pes.F,v 1.15 2009-02-03 18:14:53 marat Exp $ +c $Id$ implicit none #include "errquit.fh" #include "mafdecls.fh" diff --git a/src/qmmm/qmmm_property.F b/src/qmmm/qmmm_property.F index 1918ed6790..efec1b1b39 100644 --- a/src/qmmm/qmmm_property.F +++ b/src/qmmm/qmmm_property.F @@ -1,5 +1,5 @@ c -c $Id: qmmm_property.F,v 1.1 2006-01-22 07:03:30 marat Exp $ +c $Id$ c c function task_qmmm_property(rtdb) diff --git a/src/qmmm/qmmm_utils.F b/src/qmmm/qmmm_utils.F index 742d490b76..9840d6ca5a 100644 --- a/src/qmmm/qmmm_utils.F +++ b/src/qmmm/qmmm_utils.F @@ -1,5 +1,5 @@ c -c $Id: qmmm_utils.F,v 1.21 2007-10-09 17:20:41 marat Exp $ +c $Id$ c function qmmm_geom_distance(r1,r2) diff --git a/src/qmmm/task_qmmm_abc.F b/src/qmmm/task_qmmm_abc.F index 30a90b3c23..37a82a5412 100644 --- a/src/qmmm/task_qmmm_abc.F +++ b/src/qmmm/task_qmmm_abc.F @@ -1,5 +1,5 @@ c -c $Id: task_qmmm_abc.F,v 1.12 2006-06-09 20:58:55 edo Exp $ +c $Id$ c function task_qmmm_abc(rtdb) implicit none diff --git a/src/qmmm/task_qmmm_dynamics.F b/src/qmmm/task_qmmm_dynamics.F index 157d6bce8a..96257a72a0 100644 --- a/src/qmmm/task_qmmm_dynamics.F +++ b/src/qmmm/task_qmmm_dynamics.F @@ -1,6 +1,6 @@ function task_qmmm_dynamics(rtdb) * -* $Id: task_qmmm_dynamics.F,v 1.10 2006-02-17 20:18:43 marat Exp $ +* $Id$ * implicit none #include "errquit.fh" @@ -69,7 +69,7 @@ function task_qmmm_dynamics(rtdb) function qmmm_dynamics(rtdb) * -* $Id: task_qmmm_dynamics.F,v 1.10 2006-02-17 20:18:43 marat Exp $ +* $Id$ * implicit none #include "errquit.fh" @@ -130,7 +130,7 @@ function qmmm_dynamics(rtdb) end function qmmm_pes_dynamics(irtdb) -c $Id: task_qmmm_dynamics.F,v 1.10 2006-02-17 20:18:43 marat Exp $ +c $Id$ implicit none #include "errquit.fh" #include "mafdecls.fh" diff --git a/src/qmmm/task_qmmm_energy.F b/src/qmmm/task_qmmm_energy.F index 38874a5681..6ed432e64b 100644 --- a/src/qmmm/task_qmmm_energy.F +++ b/src/qmmm/task_qmmm_energy.F @@ -1,5 +1,5 @@ c -c $Id: task_qmmm_energy.F,v 1.35 2006-05-30 22:20:40 marat Exp $ +c $Id$ c c function task_qmmm_energy(rtdb) @@ -1266,7 +1266,7 @@ subroutine qmmm_energy_rtdb_push(rtdb) end function task_qmmm_energy_pes0(irtdb) -c $Id: task_qmmm_energy.F,v 1.35 2006-05-30 22:20:40 marat Exp $ +c $Id$ implicit none #include "errquit.fh" #include "mafdecls.fh" @@ -1515,7 +1515,7 @@ function task_qmmm_energy_pes0(irtdb) end function task_qmmm_energy_pes(irtdb) -c $Id: task_qmmm_energy.F,v 1.35 2006-05-30 22:20:40 marat Exp $ +c $Id$ implicit none #include "errquit.fh" #include "mafdecls.fh" diff --git a/src/qmmm/task_qmmm_fep.F b/src/qmmm/task_qmmm_fep.F index 63e6df36b1..e138a01855 100644 --- a/src/qmmm/task_qmmm_fep.F +++ b/src/qmmm/task_qmmm_fep.F @@ -1,5 +1,5 @@ c -c $Id: task_qmmm_fep.F,v 1.9 2009-02-03 18:14:15 marat Exp $ +c $Id$ c c function task_qmmm_fep(rtdb) diff --git a/src/qmmm/task_qmmm_gradient.F b/src/qmmm/task_qmmm_gradient.F index 9e6ed51b35..c4d04e1075 100644 --- a/src/qmmm/task_qmmm_gradient.F +++ b/src/qmmm/task_qmmm_gradient.F @@ -1,5 +1,5 @@ c -c $Id: task_qmmm_gradient.F,v 1.55 2007-09-10 02:37:31 marat Exp $ +c $Id$ c c function task_qmmm_gradient(rtdb) diff --git a/src/qmmm/task_qmmm_optimize.F b/src/qmmm/task_qmmm_optimize.F index fba3b3c314..99a9231b09 100644 --- a/src/qmmm/task_qmmm_optimize.F +++ b/src/qmmm/task_qmmm_optimize.F @@ -2,7 +2,7 @@ c Main driver for all qmmm optimization tasks * c************************************************** function task_qmmm_optimize(rtdb) -c $Id: task_qmmm_optimize.F,v 1.59 2009-02-03 18:13:20 marat Exp $ +c $Id$ implicit none #include "errquit.fh" #include "mafdecls.fh" @@ -100,7 +100,7 @@ function task_qmmm_optimize(rtdb) end c function qmmm_mixed_optimization(rtdb) -c $Id: task_qmmm_optimize.F,v 1.59 2009-02-03 18:13:20 marat Exp $ +c $Id$ implicit none #include "errquit.fh" #include "mafdecls.fh" @@ -344,7 +344,7 @@ function qmmm_mixed_optimization(rtdb) end c function driver1(rtdb) -c $Id: task_qmmm_optimize.F,v 1.59 2009-02-03 18:13:20 marat Exp $ +c $Id$ implicit none #include "errquit.fh" #include "mafdecls.fh" @@ -423,7 +423,7 @@ function driver1(rtdb) end c subroutine qmmm_optimization_method(method,region) -c $Id: task_qmmm_optimize.F,v 1.59 2009-02-03 18:13:20 marat Exp $ +c $Id$ implicit none #include "errquit.fh" #include "mafdecls.fh" @@ -473,7 +473,7 @@ subroutine qmmm_optimization_method(method,region) end c subroutine qmmm_optimization_maxiter(maxiter,region) -c $Id: task_qmmm_optimize.F,v 1.59 2009-02-03 18:13:20 marat Exp $ +c $Id$ implicit none #include "errquit.fh" #include "mafdecls.fh" @@ -506,7 +506,7 @@ subroutine qmmm_optimization_maxiter(maxiter,region) end c function qmmm_optimizer(rtdb,region,method,xyz,maxiter) -c $Id: task_qmmm_optimize.F,v 1.59 2009-02-03 18:13:20 marat Exp $ +c $Id$ implicit none #include "errquit.fh" #include "mafdecls.fh" @@ -630,7 +630,7 @@ function qmmm_optimizer(rtdb,region,method,xyz,maxiter) c function qmmm_pes(irtdb) c function qmmm_pes(irtdb,optimizer) -c $Id: task_qmmm_optimize.F,v 1.59 2009-02-03 18:13:20 marat Exp $ +c $Id$ implicit none #include "errquit.fh" #include "mafdecls.fh" diff --git a/src/rtdb/GNUmakefile b/src/rtdb/GNUmakefile index c939d5f2e8..105b46d44b 100644 --- a/src/rtdb/GNUmakefile +++ b/src/rtdb/GNUmakefile @@ -1,4 +1,4 @@ -# $Id: GNUmakefile,v 1.30 2008-06-20 20:25:05 d3p307 Exp $ +# $Id$ export ARMCI_DIR_NAME := armci ifeq ($(ARMCI_NETWORK),PORTALS) export ARMCI_DIR_NAME := armci-portals diff --git a/src/rtdb/cntx.F b/src/rtdb/cntx.F index 44429d8d15..0d0b1baf64 100644 --- a/src/rtdb/cntx.F +++ b/src/rtdb/cntx.F @@ -1,5 +1,5 @@ program main -C$Id: cntx.F,v 1.3 1995-02-02 23:21:56 d3g681 Exp $ +C$Id$ implicit none #include "mafdecls.fh" #include "context.fh" diff --git a/src/rtdb/context.c b/src/rtdb/context.c index 836fcb8d37..f75a418a1b 100644 --- a/src/rtdb/context.c +++ b/src/rtdb/context.c @@ -1,4 +1,4 @@ -/*$Id: context.c,v 1.5 1995-02-02 23:21:57 d3g681 Exp $*/ +/*$Id$*/ #include #include #include diff --git a/src/rtdb/context.fh b/src/rtdb/context.fh index c31c32bcef..61dc22c822 100644 --- a/src/rtdb/context.fh +++ b/src/rtdb/context.fh @@ -1,7 +1,7 @@ logical context_rtdb_match, context_prefix, context_set, $ context_rtdb_store, context_rtdb_load, context_push, $ context_pop -C$Id: context.fh,v 1.2 1995-02-02 23:21:58 d3g681 Exp $ +C$Id$ external context_rtdb_match, context_prefix, context_set, $ context_rtdb_store, context_rtdb_load, context_push, $ context_pop diff --git a/src/rtdb/context.h b/src/rtdb/context.h index 447de10c9d..7ac53728df 100644 --- a/src/rtdb/context.h +++ b/src/rtdb/context.h @@ -1,4 +1,4 @@ -/*$Id: context.h,v 1.4 1999-11-13 03:00:36 bjohnson Exp $*/ +/*$Id$*/ extern int context_set(const char *); extern char *context_get(void); extern int context_rtdb_store(int); diff --git a/src/rtdb/context_f2c.c b/src/rtdb/context_f2c.c index 4247f9caa9..eaa545f1cb 100644 --- a/src/rtdb/context_f2c.c +++ b/src/rtdb/context_f2c.c @@ -1,4 +1,4 @@ -/*$Id: context_f2c.c,v 1.9 2003-08-13 17:11:35 edo Exp $*/ +/*$Id$*/ #include #include #include diff --git a/src/rtdb/davetest.F b/src/rtdb/davetest.F index 22d009daad..0ba4e11729 100644 --- a/src/rtdb/davetest.F +++ b/src/rtdb/davetest.F @@ -1,5 +1,5 @@ program dumpdb -C$Id: davetest.F,v 1.5 2003-10-17 22:58:15 carlfahl Exp $ +C$Id$ implicit none #include "errquit.fh" #include "rtdb.fh" diff --git a/src/rtdb/db/GNUmakefile b/src/rtdb/db/GNUmakefile index 307ec7301e..9b8b2b110f 100644 --- a/src/rtdb/db/GNUmakefile +++ b/src/rtdb/db/GNUmakefile @@ -1,4 +1,4 @@ -#$Id: GNUmakefile,v 1.3 2001-08-28 00:54:38 edo Exp $ +#$Id$ include ../../config/makefile.h diff --git a/src/rtdb/db/cdefs.h b/src/rtdb/db/cdefs.h index 609917d94e..16a32babb2 100644 --- a/src/rtdb/db/cdefs.h +++ b/src/rtdb/db/cdefs.h @@ -1,4 +1,4 @@ -/*$Id: cdefs.h,v 1.1 1995-03-31 01:54:48 d3g681 Exp $*/ +/*$Id$*/ /* * Copyright (c) 1991, 1993 * The Regents of the University of California. All rights reserved. diff --git a/src/rtdb/db/compat.h b/src/rtdb/db/compat.h index a3b39f913c..9ba2e26e54 100644 --- a/src/rtdb/db/compat.h +++ b/src/rtdb/db/compat.h @@ -1,4 +1,4 @@ -/*$Id: compat.h,v 1.1 1995-03-31 01:54:50 d3g681 Exp $*/ +/*$Id$*/ /*- * Copyright (c) 1991, 1993 * The Regents of the University of California. All rights reserved. diff --git a/src/rtdb/db/db.c b/src/rtdb/db/db.c index 8f7c93c14e..f753b8ae1a 100644 --- a/src/rtdb/db/db.c +++ b/src/rtdb/db/db.c @@ -1,4 +1,4 @@ -/*$Id: db.c,v 1.1 1995-03-31 01:54:52 d3g681 Exp $*/ +/*$Id$*/ /*- * Copyright (c) 1991, 1993 * The Regents of the University of California. All rights reserved. diff --git a/src/rtdb/db/db.h b/src/rtdb/db/db.h index af66805489..77c0333c05 100644 --- a/src/rtdb/db/db.h +++ b/src/rtdb/db/db.h @@ -1,4 +1,4 @@ -/*$Id: db.h,v 1.1 1995-03-31 01:54:54 d3g681 Exp $*/ +/*$Id$*/ /*- * Copyright (c) 1990, 1993 * The Regents of the University of California. All rights reserved. diff --git a/src/rtdb/db/extern.h b/src/rtdb/db/extern.h index 34f8a4d1f9..776ae2371d 100644 --- a/src/rtdb/db/extern.h +++ b/src/rtdb/db/extern.h @@ -1,4 +1,4 @@ -/*$Id: extern.h,v 1.1 1995-03-31 01:54:59 d3g681 Exp $*/ +/*$Id$*/ /*- * Copyright (c) 1991, 1993 * The Regents of the University of California. All rights reserved. diff --git a/src/rtdb/db/hash.c b/src/rtdb/db/hash.c index 45a39dbd27..4ac0735c36 100644 --- a/src/rtdb/db/hash.c +++ b/src/rtdb/db/hash.c @@ -1,4 +1,4 @@ -/*$Id: hash.c,v 1.1 1995-03-31 01:55:03 d3g681 Exp $*/ +/*$Id$*/ /*- * Copyright (c) 1990, 1993 * The Regents of the University of California. All rights reserved. diff --git a/src/rtdb/db/hash.h b/src/rtdb/db/hash.h index e72477f603..22aba9505e 100644 --- a/src/rtdb/db/hash.h +++ b/src/rtdb/db/hash.h @@ -1,4 +1,4 @@ -/*$Id: hash.h,v 1.1 1995-03-31 01:55:06 d3g681 Exp $*/ +/*$Id$*/ /*- * Copyright (c) 1990, 1993 * The Regents of the University of California. All rights reserved. diff --git a/src/rtdb/db/hash_bigkey.c b/src/rtdb/db/hash_bigkey.c index 836a276189..d976f40685 100644 --- a/src/rtdb/db/hash_bigkey.c +++ b/src/rtdb/db/hash_bigkey.c @@ -1,4 +1,4 @@ -/*$Id: hash_bigkey.c,v 1.1 1995-03-31 01:55:09 d3g681 Exp $*/ +/*$Id$*/ /*- * Copyright (c) 1990, 1993 * The Regents of the University of California. All rights reserved. diff --git a/src/rtdb/db/hash_buf.c b/src/rtdb/db/hash_buf.c index 03899f66aa..935251807d 100644 --- a/src/rtdb/db/hash_buf.c +++ b/src/rtdb/db/hash_buf.c @@ -1,4 +1,4 @@ -/*$Id: hash_buf.c,v 1.1 1995-03-31 01:55:12 d3g681 Exp $*/ +/*$Id$*/ /*- * Copyright (c) 1990, 1993 * The Regents of the University of California. All rights reserved. diff --git a/src/rtdb/db/hash_func.c b/src/rtdb/db/hash_func.c index 6361ba0854..3b0c93bff2 100644 --- a/src/rtdb/db/hash_func.c +++ b/src/rtdb/db/hash_func.c @@ -1,4 +1,4 @@ -/*$Id: hash_func.c,v 1.1 1995-03-31 01:55:14 d3g681 Exp $*/ +/*$Id$*/ /*- * Copyright (c) 1990, 1993 * The Regents of the University of California. All rights reserved. diff --git a/src/rtdb/db/hash_log2.c b/src/rtdb/db/hash_log2.c index 895b3c25f7..f60f9dbe61 100644 --- a/src/rtdb/db/hash_log2.c +++ b/src/rtdb/db/hash_log2.c @@ -1,4 +1,4 @@ -/*$Id: hash_log2.c,v 1.1 1995-03-31 01:55:16 d3g681 Exp $*/ +/*$Id$*/ /*- * Copyright (c) 1990, 1993 * The Regents of the University of California. All rights reserved. diff --git a/src/rtdb/db/hash_page.c b/src/rtdb/db/hash_page.c index 79fd1ec35e..384c0055e3 100644 --- a/src/rtdb/db/hash_page.c +++ b/src/rtdb/db/hash_page.c @@ -1,4 +1,4 @@ -/*$Id: hash_page.c,v 1.1 1995-03-31 01:55:18 d3g681 Exp $*/ +/*$Id$*/ /*- * Copyright (c) 1990, 1993 * The Regents of the University of California. All rights reserved. diff --git a/src/rtdb/db/hsearch.c b/src/rtdb/db/hsearch.c index 48e4dd2349..bcb3044250 100644 --- a/src/rtdb/db/hsearch.c +++ b/src/rtdb/db/hsearch.c @@ -1,4 +1,4 @@ -/*$Id: hsearch.c,v 1.1 1995-03-31 01:55:21 d3g681 Exp $*/ +/*$Id$*/ /*- * Copyright (c) 1990, 1993 * The Regents of the University of California. All rights reserved. diff --git a/src/rtdb/db/ipsc_lseek.c b/src/rtdb/db/ipsc_lseek.c index 77322f953e..7600062593 100644 --- a/src/rtdb/db/ipsc_lseek.c +++ b/src/rtdb/db/ipsc_lseek.c @@ -1,4 +1,4 @@ -/*$Id: ipsc_lseek.c,v 1.1 1995-03-31 01:55:23 d3g681 Exp $*/ +/*$Id$*/ #include #include #include diff --git a/src/rtdb/db/memmove.c b/src/rtdb/db/memmove.c index e0bdc19758..896f0d3ff5 100644 --- a/src/rtdb/db/memmove.c +++ b/src/rtdb/db/memmove.c @@ -1,4 +1,4 @@ -/*$Id: memmove.c,v 1.1 1995-03-31 01:55:27 d3g681 Exp $*/ +/*$Id$*/ /*- * Copyright (c) 1990, 1993 * The Regents of the University of California. All rights reserved. diff --git a/src/rtdb/db/mkstemp.c b/src/rtdb/db/mkstemp.c index a6818dd1d9..d0eb0b6859 100644 --- a/src/rtdb/db/mkstemp.c +++ b/src/rtdb/db/mkstemp.c @@ -1,4 +1,4 @@ -/*$Id: mkstemp.c,v 1.1 1995-03-31 01:55:30 d3g681 Exp $*/ +/*$Id$*/ #include #include #include diff --git a/src/rtdb/db/mpool.h b/src/rtdb/db/mpool.h index 1f8749467c..29dc1f363a 100644 --- a/src/rtdb/db/mpool.h +++ b/src/rtdb/db/mpool.h @@ -1,4 +1,4 @@ -/*$Id: mpool.h,v 1.1 1995-03-31 01:55:32 d3g681 Exp $*/ +/*$Id$*/ /*- * Copyright (c) 1991, 1993 * The Regents of the University of California. All rights reserved. diff --git a/src/rtdb/db/page.h b/src/rtdb/db/page.h index 0291f39f51..6cab7e9a43 100644 --- a/src/rtdb/db/page.h +++ b/src/rtdb/db/page.h @@ -1,4 +1,4 @@ -/*$Id: page.h,v 1.1 1995-03-31 01:55:34 d3g681 Exp $*/ +/*$Id$*/ /*- * Copyright (c) 1990, 1993 * The Regents of the University of California. All rights reserved. diff --git a/src/rtdb/db/realloc.c b/src/rtdb/db/realloc.c index 9203ad35ab..acb83062ae 100644 --- a/src/rtdb/db/realloc.c +++ b/src/rtdb/db/realloc.c @@ -1,4 +1,4 @@ -/*$Id: realloc.c,v 1.1 1995-03-31 01:55:36 d3g681 Exp $*/ +/*$Id$*/ #include #include diff --git a/src/rtdb/db/rjhmisc.h b/src/rtdb/db/rjhmisc.h index b2084ec8bd..dae63ae39b 100644 --- a/src/rtdb/db/rjhmisc.h +++ b/src/rtdb/db/rjhmisc.h @@ -1,4 +1,4 @@ -/*$Id: rjhmisc.h,v 1.1 1995-03-31 01:55:38 d3g681 Exp $*/ +/*$Id$*/ #define error(format,data) \ {(void) fflush(stdout); \ (void) fprintf(stderr,format,data); \ diff --git a/src/rtdb/db/rjhtest.c b/src/rtdb/db/rjhtest.c index b51811df80..ee5815f459 100644 --- a/src/rtdb/db/rjhtest.c +++ b/src/rtdb/db/rjhtest.c @@ -1,4 +1,4 @@ -/*$Id: rjhtest.c,v 1.1 1995-03-31 01:55:40 d3g681 Exp $*/ +/*$Id$*/ #include #include #include diff --git a/src/rtdb/db/search.h b/src/rtdb/db/search.h index 4a5ca72645..149d9ed749 100644 --- a/src/rtdb/db/search.h +++ b/src/rtdb/db/search.h @@ -1,4 +1,4 @@ -/*$Id: search.h,v 1.1 1995-03-31 01:55:43 d3g681 Exp $*/ +/*$Id$*/ /*- * Copyright (c) 1990, 1993 * The Regents of the University of California. All rights reserved. diff --git a/src/rtdb/hdbm/GNUmakefile b/src/rtdb/hdbm/GNUmakefile index 9f9e7458fe..85e87c0d63 100644 --- a/src/rtdb/hdbm/GNUmakefile +++ b/src/rtdb/hdbm/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.12 2007-05-24 12:43:55 edo Exp $ +# $Id$ # include ../../config/makefile.h diff --git a/src/rtdb/hdbm/hdbm.c b/src/rtdb/hdbm/hdbm.c index e4a9f36327..1e9c134646 100644 --- a/src/rtdb/hdbm/hdbm.c +++ b/src/rtdb/hdbm/hdbm.c @@ -1,5 +1,5 @@ /* - $Id: hdbm.c,v 1.8 2004-02-11 02:27:36 edo Exp $ + $Id$ */ #include diff --git a/src/rtdb/hdbm/hdbm.h b/src/rtdb/hdbm/hdbm.h index e21f68a304..ecf156b2a0 100644 --- a/src/rtdb/hdbm/hdbm.h +++ b/src/rtdb/hdbm/hdbm.h @@ -1,5 +1,5 @@ /* - $Id: hdbm.h,v 1.2 1997-10-31 23:51:45 d3e129 Exp $ + $Id$ */ #ifndef HASHTABLE_H diff --git a/src/rtdb/hdbm/primes.c b/src/rtdb/hdbm/primes.c index c4d9114b0a..e60e64d397 100644 --- a/src/rtdb/hdbm/primes.c +++ b/src/rtdb/hdbm/primes.c @@ -1,5 +1,5 @@ /* - $Id: primes.c,v 1.2 1997-10-31 23:51:45 d3e129 Exp $ + $Id$ */ #include diff --git a/src/rtdb/hdbm/test.c b/src/rtdb/hdbm/test.c index a97a8d6e46..9b3c708e8d 100644 --- a/src/rtdb/hdbm/test.c +++ b/src/rtdb/hdbm/test.c @@ -1,5 +1,5 @@ /* - $Id: test.c,v 1.3 1997-10-31 23:51:46 d3e129 Exp $ + $Id$ */ #include diff --git a/src/rtdb/hdbm/words.c b/src/rtdb/hdbm/words.c index 884fed8cb4..70ed579b85 100644 --- a/src/rtdb/hdbm/words.c +++ b/src/rtdb/hdbm/words.c @@ -1,5 +1,5 @@ /* - $Id: words.c,v 1.2 1997-10-31 23:51:46 d3e129 Exp $ + $Id$ */ #include diff --git a/src/rtdb/interact.c b/src/rtdb/interact.c index a03605c9fb..8300601552 100644 --- a/src/rtdb/interact.c +++ b/src/rtdb/interact.c @@ -1,4 +1,4 @@ -/*$Id: interact.c,v 1.4 1995-02-02 23:22:02 d3g681 Exp $*/ +/*$Id$*/ #include #include "macdecls.h" #include "rtdb.h" diff --git a/src/rtdb/misc.h b/src/rtdb/misc.h index 4feca21296..de99d3f7dd 100644 --- a/src/rtdb/misc.h +++ b/src/rtdb/misc.h @@ -1,4 +1,4 @@ -/*$Id: misc.h,v 1.2 1995-02-02 23:22:03 d3g681 Exp $*/ +/*$Id$*/ #define error(format,data) \ {(void) fflush(stdout); \ (void) fprintf(stderr,format,data); \ diff --git a/src/rtdb/rtdb.c b/src/rtdb/rtdb.c index 89afd1bb29..243f1803f7 100644 --- a/src/rtdb/rtdb.c +++ b/src/rtdb/rtdb.c @@ -1,4 +1,4 @@ -/*$Id: rtdb.c,v 1.24 2008-05-19 17:16:38 marat Exp $*/ +/*$Id$*/ #include #include #include "rtdb.h" diff --git a/src/rtdb/rtdb.cray.h b/src/rtdb/rtdb.cray.h index 3d7fb5f70e..41787cc7c5 100644 --- a/src/rtdb/rtdb.cray.h +++ b/src/rtdb/rtdb.cray.h @@ -1,5 +1,5 @@ -/*$Id: rtdb.cray.h,v 1.5 2004-01-19 19:08:36 edo Exp $*/ +/*$Id$*/ #if (defined(CRAY) || defined(WIN32)) &&!defined(__crayx1) #define context_pop_ CONTEXT_POP #define context_prefix_ CONTEXT_PREFIX diff --git a/src/rtdb/rtdb.fh b/src/rtdb/rtdb.fh index 4698fdae9c..806fc955e1 100644 --- a/src/rtdb/rtdb.fh +++ b/src/rtdb/rtdb.fh @@ -90,7 +90,7 @@ c $ rtdb_cput, rtdb_cget, rtdb_print, rtdb_get_info, $ rtdb_first, rtdb_next, rtdb_delete, rtdb_parallel, $ rtdb_clone,rtdb_getfname,rtdb_cget_size -C$Id: rtdb.fh,v 1.8 2008-05-06 19:32:42 marat Exp $ +C$Id$ external rtdb_open, rtdb_close, rtdb_put, rtdb_get, rtdb_ma_get, $ rtdb_cput, rtdb_cget, rtdb_print, rtdb_get_info, $ rtdb_first, rtdb_next, rtdb_delete, rtdb_parallel, diff --git a/src/rtdb/rtdb.h b/src/rtdb/rtdb.h index fd07404d5b..564231b4d8 100644 --- a/src/rtdb/rtdb.h +++ b/src/rtdb/rtdb.h @@ -1,4 +1,4 @@ -/*$Id: rtdb.h,v 1.7 2004-08-13 11:23:27 edo Exp $*/ +/*$Id$*/ #ifndef RTDB_H #define RTDB_H diff --git a/src/rtdb/rtdb_f2c.c b/src/rtdb/rtdb_f2c.c index 1a2b735b14..872218de13 100644 --- a/src/rtdb/rtdb_f2c.c +++ b/src/rtdb/rtdb_f2c.c @@ -1,4 +1,4 @@ -/*$Id: rtdb_f2c.c,v 1.26 2008-05-19 17:16:38 marat Exp $*/ +/*$Id$*/ #include #include #include "rtdb.h" diff --git a/src/rtdb/rtdb_seq.c b/src/rtdb/rtdb_seq.c index 8d44205639..2a7da787a5 100644 --- a/src/rtdb/rtdb_seq.c +++ b/src/rtdb/rtdb_seq.c @@ -1,4 +1,4 @@ -/*$Id: rtdb_seq.c,v 1.26 2008-08-19 00:12:17 d3p307 Exp $*/ +/*$Id$*/ #include #include #if defined(CATAMOUNT) diff --git a/src/rtdb/rtdbtest.c b/src/rtdb/rtdbtest.c index 4e8ed3df05..082e3ca535 100644 --- a/src/rtdb/rtdbtest.c +++ b/src/rtdb/rtdbtest.c @@ -1,4 +1,4 @@ -/*$Id: rtdbtest.c,v 1.6 2004-08-12 15:26:24 edo Exp $*/ +/*$Id$*/ #include #include "rtdb.h" #include "misc.h" diff --git a/src/rtdb/test.F b/src/rtdb/test.F index f5aa4ee56f..4db01a4349 100644 --- a/src/rtdb/test.F +++ b/src/rtdb/test.F @@ -1,5 +1,5 @@ program test -C$Id: test.F,v 1.6 2004-08-13 11:23:27 edo Exp $ +C$Id$ implicit none c #include "rtdb.fh" diff --git a/src/rtdb/testgr.F b/src/rtdb/testgr.F index 1b799dcf04..1d790fc40b 100644 --- a/src/rtdb/testgr.F +++ b/src/rtdb/testgr.F @@ -1,5 +1,5 @@ program test -C$Id: testgr.F,v 1.1 2004-10-27 22:58:50 edo Exp $ +C$Id$ implicit none c #include "rtdb.fh" diff --git a/src/selci/GNUmakefile b/src/selci/GNUmakefile index f0397aaa03..c5b9c76f5a 100644 --- a/src/selci/GNUmakefile +++ b/src/selci/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.37 2006-08-01 21:06:13 d3p307 Exp $ +# $Id$ # diff --git a/src/selci/MakeFile b/src/selci/MakeFile index 510da49de5..0b24f415ab 100644 --- a/src/selci/MakeFile +++ b/src/selci/MakeFile @@ -1,5 +1,5 @@ # -# $Id: MakeFile,v 1.12 2003-09-05 16:05:06 edo Exp $ +# $Id$ # #!MESSAGE *** Unresolved issues in this nmake file *** diff --git a/src/selci/anal.F b/src/selci/anal.F index 90c41e5607..7ee985ba4b 100644 --- a/src/selci/anal.F +++ b/src/selci/anal.F @@ -1,7 +1,7 @@ subroutine selci_anal(irange, roots, ept, ptnorm, enew, ncinew, & ptnorm_mp, ept_mp) * -* $Id: anal.F,v 1.6 2003-04-16 23:08:03 bert Exp $ +* $Id$ * #include "implicit.fh" #include "ciinfo.fh" diff --git a/src/selci/axb.f b/src/selci/axb.f index 1f082ecae2..cf1af54e93 100644 --- a/src/selci/axb.f +++ b/src/selci/axb.f @@ -1,6 +1,6 @@ subroutine selci_axb(a,mrowa,b,mrowb,c,mrowc,ncol,nlink,nrow) * -* $Id: axb.f,v 1.3 1997-10-31 23:41:52 d3e129 Exp $ +* $Id$ * implicit real*8 (a-h,o-z) parameter (zero=0.0d0) diff --git a/src/selci/axbt.f b/src/selci/axbt.f index 720a34d00d..5028b9b3a3 100644 --- a/src/selci/axbt.f +++ b/src/selci/axbt.f @@ -1,6 +1,6 @@ subroutine selci_axbt(a,mrowa,b,mrowb,c,mrowc,ncol,nlink,nrow) * -* $Id: axbt.f,v 1.2 1997-10-31 23:41:53 d3e129 Exp $ +* $Id$ * implicit real*8 (a-h,o-z) parameter (zero=0.0d0) diff --git a/src/selci/bserch.F b/src/selci/bserch.F index fc350db5fe..05d85ff08a 100644 --- a/src/selci/bserch.F +++ b/src/selci/bserch.F @@ -1,7 +1,7 @@ subroutine selci_insert(n,item,list,nintpo,ipos) #include "errquit.fh" * -* $Id: bserch.F,v 1.1 2003-10-17 22:33:53 carlfahl Exp $ +* $Id$ * integer list(*),item(*) c diff --git a/src/selci/cbits.fh b/src/selci/cbits.fh index 080d6bb207..b931509310 100644 --- a/src/selci/cbits.fh +++ b/src/selci/cbits.fh @@ -1,5 +1,5 @@ * -* $Id: cbits.fh,v 1.2 1997-10-31 23:41:53 d3e129 Exp $ +* $Id$ * integer ipopcb, leadzb common/selci_cbits/ ipopcb(-128:127), leadzb(-128:127) diff --git a/src/selci/cbuff.fh b/src/selci/cbuff.fh index 3bf63fe1d4..6c62c2d565 100644 --- a/src/selci/cbuff.fh +++ b/src/selci/cbuff.fh @@ -1,5 +1,5 @@ * -* $Id: cbuff.fh,v 1.4 2003-04-11 00:29:05 bert Exp $ +* $Id$ * c c This for debug with i*2 integers diff --git a/src/selci/cconf.fh b/src/selci/cconf.fh index 3548960a55..463ff651fa 100644 --- a/src/selci/cconf.fh +++ b/src/selci/cconf.fh @@ -1,5 +1,5 @@ * -* $Id: cconf.fh,v 1.2 1997-10-31 23:41:55 d3e129 Exp $ +* $Id$ * c c Main common used by configuration generation program diff --git a/src/selci/ceij.fh b/src/selci/ceij.fh index 073cee23b3..3d843de08c 100644 --- a/src/selci/ceij.fh +++ b/src/selci/ceij.fh @@ -1,5 +1,5 @@ * -* $Id: ceij.fh,v 1.2 1997-10-31 23:41:55 d3e129 Exp $ +* $Id$ * c c this common contains full one particle coupling coefficients diff --git a/src/selci/ci.F b/src/selci/ci.F index 35d356bef5..f3d9509393 100644 --- a/src/selci/ci.F +++ b/src/selci/ci.F @@ -1,6 +1,6 @@ subroutine selci_ci(q, lword) * -* $Id: ci.F,v 1.5 1997-10-31 23:41:56 d3e129 Exp $ +* $Id$ * #include "implicit.fh" #include "ciinfo.fh" diff --git a/src/selci/ciinfo.fh b/src/selci/ciinfo.fh index 419b0af3f3..da88b24e60 100644 --- a/src/selci/ciinfo.fh +++ b/src/selci/ciinfo.fh @@ -1,5 +1,5 @@ * -* $Id: ciinfo.fh,v 1.2 1997-10-31 23:41:56 d3e129 Exp $ +* $Id$ * c c global static info about the ci diff --git a/src/selci/cmp2.fh b/src/selci/cmp2.fh index 73b11db882..2ad28bd43f 100644 --- a/src/selci/cmp2.fh +++ b/src/selci/cmp2.fh @@ -1,5 +1,5 @@ * -* $Id: cmp2.fh,v 1.2 1997-10-31 23:41:57 d3e129 Exp $ +* $Id$ * c c used: in selection program only diff --git a/src/selci/conf.F b/src/selci/conf.F index 262f2091ce..2fe9f33886 100644 --- a/src/selci/conf.F +++ b/src/selci/conf.F @@ -1,6 +1,6 @@ subroutine selci_conf(rtdb, q, lword) * -* $Id: conf.F,v 1.13 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * #include "implicit.fh" #include "cconf.fh" diff --git a/src/selci/couple.c b/src/selci/couple.c index 9aff47c1df..296d59cf1b 100644 --- a/src/selci/couple.c +++ b/src/selci/couple.c @@ -1,5 +1,5 @@ /* - $Id: couple.c,v 1.11 2004-05-05 02:24:15 edo Exp $ + $Id$ */ #include diff --git a/src/selci/cputm.c b/src/selci/cputm.c index 18d53ba69b..c92fd40401 100644 --- a/src/selci/cputm.c +++ b/src/selci/cputm.c @@ -1,5 +1,5 @@ /* - $Id: cputm.c,v 1.10 2004-05-10 18:40:30 edo Exp $ + $Id$ */ #include diff --git a/src/selci/cselcifiles.fh b/src/selci/cselcifiles.fh index 143046a15c..676325ef0f 100644 --- a/src/selci/cselcifiles.fh +++ b/src/selci/cselcifiles.fh @@ -1,5 +1,5 @@ * -* $Id: cselcifiles.fh,v 1.2 1997-10-31 23:41:58 d3e129 Exp $ +* $Id$ * c c moints ... MO integrals diff --git a/src/selci/davids.F b/src/selci/davids.F index 52bcd7d2a8..9ed5624d3d 100644 --- a/src/selci/davids.F +++ b/src/selci/davids.F @@ -1,6 +1,6 @@ subroutine selci_davids(q, lword, nroot, thresh, roots) * -* $Id: davids.F,v 1.13 2009-02-10 03:27:13 jhammond Exp $ +* $Id$ * #include "implicit.fh" #include "errquit.fh" diff --git a/src/selci/e0mp2.F b/src/selci/e0mp2.F index 6f432c7436..d03dc8db3b 100644 --- a/src/selci/e0mp2.F +++ b/src/selci/e0mp2.F @@ -1,6 +1,6 @@ subroutine selci_brdeig * -* $Id: e0mp2.F,v 1.6 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * #include "implicit.fh" #include "ciinfo.fh" diff --git a/src/selci/eij.F b/src/selci/eij.F index a61a89fc07..b08c5caf15 100644 --- a/src/selci/eij.F +++ b/src/selci/eij.F @@ -1,6 +1,6 @@ subroutine selci_eij(e,i,j,ns,indbar,iocc,w1,w2) * -* $Id: eij.F,v 1.3 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * #include "implicit.fh" #include "errquit.fh" diff --git a/src/selci/eijeji.F b/src/selci/eijeji.F index 3eb9236429..3b805b18e1 100644 --- a/src/selci/eijeji.F +++ b/src/selci/eijeji.F @@ -1,6 +1,6 @@ subroutine selci_eijeji(e,odonly,i,j,ns,indbar,iocc,w1,w2,work) * -* $Id: eijeji.F,v 1.3 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * #include "implicit.fh" #include "errquit.fh" diff --git a/src/selci/eijil.F b/src/selci/eijil.F index 6e97fd3b31..5df0d4c57a 100644 --- a/src/selci/eijil.F +++ b/src/selci/eijil.F @@ -1,7 +1,7 @@ subroutine selci_eijil(e,i,j,l,ns,indbar,iocc, $ w1,w2,work,numf,numf2) * -* $Id: eijil.F,v 1.3 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * #include "implicit.fh" #include "errquit.fh" diff --git a/src/selci/eijkj.F b/src/selci/eijkj.F index 9c57129b5c..6f2740cfac 100644 --- a/src/selci/eijkj.F +++ b/src/selci/eijkj.F @@ -1,7 +1,7 @@ subroutine selci_eijkj(e,i,k,j,ns,indbar,iocc, $ w1,w2,work,numf,numf2) * -* $Id: eijkj.F,v 1.3 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * #include "implicit.fh" #include "errquit.fh" diff --git a/src/selci/eijkl.F b/src/selci/eijkl.F index e7f1d0cdd4..d8fde977ef 100644 --- a/src/selci/eijkl.F +++ b/src/selci/eijkl.F @@ -1,7 +1,7 @@ subroutine selci_eijkl(e,i,j,k,l,ns,indbar,iocc,w1,w2, $ work,numf,numf2) * -* $Id: eijkl.F,v 1.5 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * #include "implicit.fh" #include "errquit.fh" diff --git a/src/selci/eirerj.F b/src/selci/eirerj.F index f6ca03f46b..35e362b79e 100644 --- a/src/selci/eirerj.F +++ b/src/selci/eirerj.F @@ -1,6 +1,6 @@ subroutine selci_eirerj(e,i,ir,j,ns,indbar,iocc,w1,w2,work) * -* $Id: eirerj.F,v 1.3 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * #include "implicit.fh" #include "errquit.fh" diff --git a/src/selci/fcidim.F b/src/selci/fcidim.F index 1e39e58f2f..2204578b47 100644 --- a/src/selci/fcidim.F +++ b/src/selci/fcidim.F @@ -1,7 +1,7 @@ double precision function selci_fcidim(nelec, multi, issss, $ norbs, isym) * -* $Id: fcidim.F,v 1.4 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * #include "implicit.fh" #include "errquit.fh" diff --git a/src/selci/getij.F b/src/selci/getij.F index 95d6a809b4..fdb358c723 100644 --- a/src/selci/getij.F +++ b/src/selci/getij.F @@ -1,6 +1,6 @@ subroutine selci_getij(i,j,ioconf,joconf,nintpo,nbitpi,iocc) * -* $Id: getij.F,v 1.3 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * dimension ioconf(nintpo),joconf(nintpo),ind(2),ijocc(2), $ iocc(*) diff --git a/src/selci/gettim.f b/src/selci/gettim.f index 2be4b4badd..e056a9fc3c 100644 --- a/src/selci/gettim.f +++ b/src/selci/gettim.f @@ -1,6 +1,6 @@ subroutine selci_gettim(cpud,elapsd) * -* $Id: gettim.f,v 1.5 2003-04-11 00:29:05 bert Exp $ +* $Id$ * implicit double precision (a-h,o-z) real*4 elast,timediff diff --git a/src/selci/gtijkl.F b/src/selci/gtijkl.F index b0d703becc..c90db0fc5f 100644 --- a/src/selci/gtijkl.F +++ b/src/selci/gtijkl.F @@ -1,7 +1,7 @@ subroutine selci_gtijkl(ind,ioconf,joconf,nintpo,nbitpi, $ iocc,icase) * -* $Id: gtijkl.F,v 1.3 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * dimension ind(*),ioconf(nintpo),joconf(nintpo),iocc(*) dimension ijocc(4) diff --git a/src/selci/idmin.f b/src/selci/idmin.f index cd3020bcb2..1193c3bd45 100644 --- a/src/selci/idmin.f +++ b/src/selci/idmin.f @@ -1,6 +1,6 @@ integer function selci_idmin(n,a,ia) * -* $Id: idmin.f,v 1.3 2009-02-10 03:27:12 jhammond Exp $ +* $Id$ * real *8 a(ia,*) c diff --git a/src/selci/implicit.fh b/src/selci/implicit.fh index 69c1ac4fb0..281fe02df3 100644 --- a/src/selci/implicit.fh +++ b/src/selci/implicit.fh @@ -1,5 +1,5 @@ * -* $Id: implicit.fh,v 1.2 1997-10-31 23:42:05 d3e129 Exp $ +* $Id$ * c implicit real*8 (a-h,p-w),integer (i-n),logical (o) diff --git a/src/selci/inicij.F b/src/selci/inicij.F index 50e9c47a1c..38d74975a8 100644 --- a/src/selci/inicij.F +++ b/src/selci/inicij.F @@ -1,6 +1,6 @@ subroutine selci_inicij(w1,w2) * -* $Id: inicij.F,v 1.3 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * #include "implicit.fh" #include "errquit.fh" diff --git a/src/selci/initci.F b/src/selci/initci.F index 39cc7248f6..b4f697ceb3 100644 --- a/src/selci/initci.F +++ b/src/selci/initci.F @@ -1,6 +1,6 @@ subroutine selci_initci(title, type) * -* $Id: initci.F,v 1.5 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * #include "implicit.fh" #include "errquit.fh" diff --git a/src/selci/input.F b/src/selci/input.F index 9c8ba9b024..4e7e238d33 100644 --- a/src/selci/input.F +++ b/src/selci/input.F @@ -1,6 +1,6 @@ subroutine setinp(ir,iw) * -* $Id: input.F,v 1.5 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * implicit real*8 (a-h,p-w),integer (i-n),logical (o) implicit character *8 (z),character *1 (x) diff --git a/src/selci/iodiff.F b/src/selci/iodiff.F index 2e430d7d1c..17b8e3271d 100644 --- a/src/selci/iodiff.F +++ b/src/selci/iodiff.F @@ -1,6 +1,6 @@ integer function selci_iodiff(ioconf,joconf,nintpo) * -* $Id: iodiff.F,v 1.3 1997-10-31 23:42:06 d3e129 Exp $ +* $Id$ * integer ioconf(*),joconf(*), selci_popcnt32 #include "bitops.fh" diff --git a/src/selci/iprtri.F b/src/selci/iprtri.F index 922f245ce8..f04935bb57 100644 --- a/src/selci/iprtri.F +++ b/src/selci/iprtri.F @@ -1,6 +1,6 @@ subroutine selci_iprtri(id,n) * -* $Id: iprtri.F,v 1.2 1997-10-31 23:42:07 d3e129 Exp $ +* $Id$ * c c ----- print out an integer triangular matrix ----- diff --git a/src/selci/isum.f b/src/selci/isum.f index 5c3c331400..d0a91a2934 100644 --- a/src/selci/isum.f +++ b/src/selci/isum.f @@ -1,6 +1,6 @@ integer function selci_isum(n,m,im) * -* $Id: isum.f,v 1.2 1997-10-31 23:42:07 d3e129 Exp $ +* $Id$ * dimension m(im,*) c diff --git a/src/selci/load.F b/src/selci/load.F index 808965b52c..71296fd6a8 100644 --- a/src/selci/load.F +++ b/src/selci/load.F @@ -1,6 +1,6 @@ subroutine selci_load(h, g, int12, int34) * -* $Id: load.F,v 1.5 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * #include "implicit.fh" #include "errquit.fh" diff --git a/src/selci/loada.F b/src/selci/loada.F index 19502840af..6c11684e0a 100644 --- a/src/selci/loada.F +++ b/src/selci/loada.F @@ -1,6 +1,6 @@ subroutine selci_loada(h, g, int12, int34) * -* $Id: loada.F,v 1.5 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * #include "implicit.fh" #include "errquit.fh" diff --git a/src/selci/loadab.F b/src/selci/loadab.F index e112f21272..0d0b390e84 100644 --- a/src/selci/loadab.F +++ b/src/selci/loadab.F @@ -1,6 +1,6 @@ subroutine selci_loadab(h, g, int12, int34) * -* $Id: loadab.F,v 1.5 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * #include "implicit.fh" #include "errquit.fh" diff --git a/src/selci/loadg.F b/src/selci/loadg.F index 22503086db..c928dc91a8 100644 --- a/src/selci/loadg.F +++ b/src/selci/loadg.F @@ -1,6 +1,6 @@ subroutine selci_loadg(g,int12,int34) * -* $Id: loadg.F,v 1.4 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * #include "implicit.fh" #include "errquit.fh" diff --git a/src/selci/loadw.F b/src/selci/loadw.F index db8771f77a..ee685d7748 100644 --- a/src/selci/loadw.F +++ b/src/selci/loadw.F @@ -1,6 +1,6 @@ subroutine selci_loadw(iflwmt, w1, w2, nfmax, nfmax2, nsmax) * -* $Id: loadw.F,v 1.2 1997-10-31 23:42:09 d3e129 Exp $ +* $Id$ * #include "implicit.fh" dimension w1(nfmax,nfmax,nsmax), w2(nfmax2,nfmax,nsmax-1) diff --git a/src/selci/makef.F b/src/selci/makef.F index 18e0a99bc3..79f12b94d8 100644 --- a/src/selci/makef.F +++ b/src/selci/makef.F @@ -1,7 +1,7 @@ subroutine selci_makef(f,h,g,int12,int34,iocc,listd,lists,ns,nd, $ odonly) * -* $Id: makef.F,v 1.3 1997-10-31 23:42:09 d3e129 Exp $ +* $Id$ * #include "implicit.fh" #include "ciinfo.fh" diff --git a/src/selci/makeh.F b/src/selci/makeh.F index a5939950ac..bb93a73c7a 100644 --- a/src/selci/makeh.F +++ b/src/selci/makeh.F @@ -1,7 +1,7 @@ subroutine selci_makeh(h,g,int12,int34,w1,w2,ioconf,indxci,hd, $ work1, work2, work3, f) * -* $Id: makeh.F,v 1.7 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * #include "implicit.fh" #include "errquit.fh" diff --git a/src/selci/makehd.F b/src/selci/makehd.F index c03b6ccef3..cd895efaa2 100644 --- a/src/selci/makehd.F +++ b/src/selci/makehd.F @@ -2,7 +2,7 @@ subroutine selci_makehd(hii,odonly, $ ns,nd,indbar,iocc,lists,listd,w1,w2, $ work1,work2,f,h,g,int12,int34,numf) * -* $Id: makehd.F,v 1.2 1997-10-31 23:42:11 d3e129 Exp $ +* $Id$ * #include "implicit.fh" #include "ciinfo.fh" diff --git a/src/selci/makehs.F b/src/selci/makehs.F index 9fa18194ce..c37c7f8515 100644 --- a/src/selci/makehs.F +++ b/src/selci/makehs.F @@ -1,7 +1,7 @@ subroutine selci_makehs(hij,i,j,ns,indbar,iocc,lists, $ w1,w2,work1,work2,f,g,int12,int34,numf,numf2) * -* $Id: makehs.F,v 1.2 1997-10-31 23:42:11 d3e129 Exp $ +* $Id$ * #include "implicit.fh" #include "ciinfo.fh" diff --git a/src/selci/makhdb.F b/src/selci/makhdb.F index 77cbc1dc3e..0e9a475f2a 100644 --- a/src/selci/makhdb.F +++ b/src/selci/makhdb.F @@ -1,7 +1,7 @@ subroutine selci_makhdb(hij,ind,icase,ns,indbar,iocc, $ w1,w2,work1,work2,g,int12,int34,numf,numf2) * -* $Id: makhdb.F,v 1.3 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * #include "implicit.fh" #include "errquit.fh" diff --git a/src/selci/minit.F b/src/selci/minit.F index 40a12381a0..60b772c1a9 100644 --- a/src/selci/minit.F +++ b/src/selci/minit.F @@ -1,6 +1,6 @@ integer function selci_minit(llword) * -* $Id: minit.F,v 1.1 2003-10-17 22:32:27 carlfahl Exp $ +* $Id$ * csw 1 implicit integer (a-z) diff --git a/src/selci/mkdele.F b/src/selci/mkdele.F index d95984f011..256a56c896 100644 --- a/src/selci/mkdele.F +++ b/src/selci/mkdele.F @@ -1,7 +1,7 @@ subroutine selci_mkdele(numf, nroot, deltae, vc, roots, $ diag, nfmax, dnorm) * -* $Id: mkdele.F,v 1.2 1997-10-31 23:42:12 d3e129 Exp $ +* $Id$ * #include "implicit.fh" c diff --git a/src/selci/mkindb.f b/src/selci/mkindb.f index 0d8a830aa0..18e4ddc81d 100644 --- a/src/selci/mkindb.f +++ b/src/selci/mkindb.f @@ -1,6 +1,6 @@ subroutine selci_mkindb(norbs, iocc, indbar, listd, lists, ns, nd) * -* $Id: mkindb.f,v 1.2 1997-10-31 23:42:13 d3e129 Exp $ +* $Id$ * dimension iocc(norbs), indbar(norbs), listd(norbs), lists(norbs) c diff --git a/src/selci/mkindx.F b/src/selci/mkindx.F index c6b1254484..5a428c1ceb 100644 --- a/src/selci/mkindx.F +++ b/src/selci/mkindx.F @@ -1,6 +1,6 @@ subroutine selci_mkindx(ioconf,indxci,ncinew,nnsmax) * -* $Id: mkindx.F,v 1.3 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * #include "implicit.fh" #include "errquit.fh" diff --git a/src/selci/mkinta.F b/src/selci/mkinta.F index f31f391652..9d0b201033 100644 --- a/src/selci/mkinta.F +++ b/src/selci/mkinta.F @@ -1,6 +1,6 @@ subroutine selci_mkinta(int12, int34) * -* $Id: mkinta.F,v 1.2 1997-10-31 23:42:13 d3e129 Exp $ +* $Id$ * #include "implicit.fh" #include "ciinfo.fh" diff --git a/src/selci/mknsneed.F b/src/selci/mknsneed.F index d15f24feec..d0d2653a05 100644 --- a/src/selci/mknsneed.F +++ b/src/selci/mknsneed.F @@ -1,7 +1,7 @@ subroutine selci_mknsneed(ioconf,noconf,nintpo,nbitpi, $ norbs,nsneed) * -* $Id: mknsneed.F,v 1.2 1997-10-31 23:42:14 d3e129 Exp $ +* $Id$ * #include "implicit.fh" c diff --git a/src/selci/mkvc.F b/src/selci/mkvc.F index 16912fbba2..1a0de4dc5c 100644 --- a/src/selci/mkvc.F +++ b/src/selci/mkvc.F @@ -1,7 +1,7 @@ subroutine selci_mkvc(q, h,g,int12,int34,w1,w2,ioconf,indxci, $ iexv,iconf,ncold,ci,vc,iocc,ipack,numf,work1) * -* $Id: mkvc.F,v 1.4 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * #include "implicit.fh" #include "errquit.fh" diff --git a/src/selci/mpdele.F b/src/selci/mpdele.F index 5b66d6fd5f..53c7e598de 100644 --- a/src/selci/mpdele.F +++ b/src/selci/mpdele.F @@ -1,7 +1,7 @@ subroutine selci_mpdele(numf, nroot, deltae_mp, vc, $ roots_mp, nfmax, dnorm_mp,iocc) * -* $Id: mpdele.F,v 1.2 1997-10-31 23:42:15 d3e129 Exp $ +* $Id$ * #include "implicit.fh" integer iocc(*) diff --git a/src/selci/mptr.fh b/src/selci/mptr.fh index af6a42b2af..a0fa535cf5 100644 --- a/src/selci/mptr.fh +++ b/src/selci/mptr.fh @@ -1,5 +1,5 @@ * -* $Id: mptr.fh,v 1.2 1997-10-31 23:42:15 d3e129 Exp $ +* $Id$ * integer selci_minit integer selci_mleft diff --git a/src/selci/mxma.f b/src/selci/mxma.f index 13d3df123c..fea088a77d 100644 --- a/src/selci/mxma.f +++ b/src/selci/mxma.f @@ -1,7 +1,7 @@ subroutine selci_mxma(a,iac,iar, b,ibc,ibr, c,icc,icr, $ nar,nac,nbc) * -* $Id: mxma.f,v 1.2 1997-10-31 23:42:15 d3e129 Exp $ +* $Id$ * implicit integer (a-z) real*8 a(*),b(*),c(*) diff --git a/src/selci/mxmb.f b/src/selci/mxmb.f index 745d0a3d6e..747a26ac73 100644 --- a/src/selci/mxmb.f +++ b/src/selci/mxmb.f @@ -1,7 +1,7 @@ subroutine selci_mxmb(a,mcola,mrowa,b,mcolb,mrowb, 1 r,mcolr,mrowr, ncol,nlink,nrow) * -* $Id: mxmb.f,v 1.2 1997-10-31 23:42:16 d3e129 Exp $ +* $Id$ * implicit double precision (a-h,o-z) dimension a(1),b(1),r(1) diff --git a/src/selci/oeq.f b/src/selci/oeq.f index 40d278e494..b9ac609865 100644 --- a/src/selci/oeq.f +++ b/src/selci/oeq.f @@ -1,6 +1,6 @@ logical function selci_oeq(noconf,ioconf,joconf,nintpo) * -* $Id: oeq.f,v 1.2 1997-10-31 23:42:16 d3e129 Exp $ +* $Id$ * integer ioconf(nintpo,noconf),joconf(nintpo) c diff --git a/src/selci/ointer.F b/src/selci/ointer.F index 4aa34515fc..5733f2d56f 100644 --- a/src/selci/ointer.F +++ b/src/selci/ointer.F @@ -1,6 +1,6 @@ logical function selci_ointer(noconf,ioconf,joconf,nintpo) * -* $Id: ointer.F,v 1.3 1997-10-31 23:42:17 d3e129 Exp $ +* $Id$ * integer ioconf(nintpo*noconf),joconf(nintpo) c diff --git a/src/selci/ointer.mod.F b/src/selci/ointer.mod.F index a9cb53f235..8b19a0606e 100644 --- a/src/selci/ointer.mod.F +++ b/src/selci/ointer.mod.F @@ -1,6 +1,6 @@ logical function selci_ointer(noconf,ioconf,joconf,nintpo) * -* $Id: ointer.mod.F,v 1.2 1997-10-31 23:42:17 d3e129 Exp $ +* $Id$ * integer ioconf(nintpo*noconf),joconf(nintpo) c diff --git a/src/selci/ointer.parthack.F b/src/selci/ointer.parthack.F index 97b2af899d..6d11e99b14 100644 --- a/src/selci/ointer.parthack.F +++ b/src/selci/ointer.parthack.F @@ -1,7 +1,7 @@ logical function selci_ointer(noconf,ioconf,joconf,nintpo, $ icon4, icon4new) * -* $Id: ointer.parthack.F,v 1.2 1997-10-31 23:42:17 d3e129 Exp $ +* $Id$ * integer ioconf(nintpo*noconf),joconf(nintpo) integer icon4(4,noconf), icon4new(4) diff --git a/src/selci/opencc.F b/src/selci/opencc.F index 9b9d29090c..9b873e9995 100644 --- a/src/selci/opencc.F +++ b/src/selci/opencc.F @@ -1,7 +1,7 @@ subroutine opencc #include "errquit.fh" * -* $Id: opencc.F,v 1.1 2003-10-17 22:29:07 carlfahl Exp $ +* $Id$ * entry putcc entry getcc diff --git a/src/selci/orbanal.F b/src/selci/orbanal.F index 0cd2ac4d29..26b8c359c6 100644 --- a/src/selci/orbanal.F +++ b/src/selci/orbanal.F @@ -2,7 +2,7 @@ subroutine selci_orbanal(noconf, ioconf, nintpo, nbitpi, norbs, $ map) implicit none * -* $Id: orbanal.F,v 1.3 1997-10-31 23:42:18 d3e129 Exp $ +* $Id$ * integer noconf, nintpo, nbitpi, norbs integer ioconf(nintpo, noconf) diff --git a/src/selci/pconls.F b/src/selci/pconls.F index 4f8085a207..e19550baaf 100644 --- a/src/selci/pconls.F +++ b/src/selci/pconls.F @@ -1,6 +1,6 @@ subroutine selci_pconls(ioconf) * -* $Id: pconls.F,v 1.2 1997-10-31 23:42:19 d3e129 Exp $ +* $Id$ * #include "implicit.fh" #include "ciinfo.fh" diff --git a/src/selci/pkcon.F b/src/selci/pkcon.F index 54e5bc2fb2..c4b96f5dbc 100644 --- a/src/selci/pkcon.F +++ b/src/selci/pkcon.F @@ -1,7 +1,7 @@ subroutine selci_pkcon(norbs, iocc, mocc, nintpo, nbitpi) #include "errquit.fh" * -* $Id: pkcon.F,v 1.3 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * dimension iocc(norbs), mocc(nintpo) #include "bitops.fh" diff --git a/src/selci/popcnt32.F b/src/selci/popcnt32.F index 73b6b9ae3b..d32a96579e 100644 --- a/src/selci/popcnt32.F +++ b/src/selci/popcnt32.F @@ -1,6 +1,6 @@ integer function selci_popcnt32(i) * -* $Id: popcnt32.F,v 1.12 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * #if defined(LINUX) || defined(LINUX64) #define INTEGER_1 integer*1 diff --git a/src/selci/prtcon.f b/src/selci/prtcon.f index 2125618e2f..83a1a24370 100644 --- a/src/selci/prtcon.f +++ b/src/selci/prtcon.f @@ -1,6 +1,6 @@ subroutine selci_prtcon(ifllog, norbs, ioconf, nintpo, nbitpi) * -* $Id: prtcon.f,v 1.2 1997-10-31 23:42:20 d3e129 Exp $ +* $Id$ * dimension ioconf(nintpo),iocc(255) c diff --git a/src/selci/prtri.F b/src/selci/prtri.F index ffa84a98d6..40a9175507 100644 --- a/src/selci/prtri.F +++ b/src/selci/prtri.F @@ -1,6 +1,6 @@ subroutine selci_prtri(d,n) * -* $Id: prtri.F,v 1.2 1997-10-31 23:42:21 d3e129 Exp $ +* $Id$ * c c ----- print out a real triangular matrix ----- diff --git a/src/selci/ptidy.F b/src/selci/ptidy.F index ebe4114681..dfbadb4f55 100644 --- a/src/selci/ptidy.F +++ b/src/selci/ptidy.F @@ -1,7 +1,7 @@ subroutine selci_ptidy(ioconf, nintpo, noconf, ncold, nconmx, $ nroot, ept, enew, irange, ptnorm, ptnorm_mp, ept_mp) * -* $Id: ptidy.F,v 1.6 2005-01-31 21:25:17 edo Exp $ +* $Id$ * #include "implicit.fh" #include "errquit.fh" diff --git a/src/selci/putinb.F b/src/selci/putinb.F index 80ecd309f0..64b3d9f898 100644 --- a/src/selci/putinb.F +++ b/src/selci/putinb.F @@ -1,6 +1,6 @@ subroutine selci_putinb(iflham,ibase,numf,hbuf,ninhb,jbuf,ninjb) * -* $Id: putinb.F,v 1.2 1997-10-31 23:42:21 d3e129 Exp $ +* $Id$ * #include "implicit.fh" #include "cbuff.fh" diff --git a/src/selci/rd1.F b/src/selci/rd1.F index 5564e12b96..67f88caf21 100644 --- a/src/selci/rd1.F +++ b/src/selci/rd1.F @@ -1,5 +1,5 @@ * -* $Id: rd1.F,v 1.1 2003-10-17 22:27:50 carlfahl Exp $ +* $Id$ * c c routines to read columbus integrals diff --git a/src/selci/rdconf.f b/src/selci/rdconf.f index 6185bc57a6..29df132983 100644 --- a/src/selci/rdconf.f +++ b/src/selci/rdconf.f @@ -1,6 +1,6 @@ subroutine selci_rdconf(iflcon,ioconf,indxci,nintpo,noconf) * -* $Id: rdconf.f,v 1.2 1997-10-31 23:42:22 d3e129 Exp $ +* $Id$ * integer ioconf(nintpo*noconf),indxci(noconf+1) c diff --git a/src/selci/rdhcon.f b/src/selci/rdhcon.f index bf4e5518ee..817d3fc306 100644 --- a/src/selci/rdhcon.f +++ b/src/selci/rdhcon.f @@ -2,7 +2,7 @@ subroutine selci_rdhcon(iflcon, title, multi, nelec, issss, norbs, & nnsmax, nci, noconf, nintpo, nbitpi, nbpsy, isym, nsym, & inttyp, nsneed) * -* $Id: rdhcon.f,v 1.2 1997-10-31 23:42:23 d3e129 Exp $ +* $Id$ * character*80 title dimension nbpsy(8), isym(255), nsneed(3) diff --git a/src/selci/rdhead.F b/src/selci/rdhead.F index f321cb81ec..b2b7f55ccd 100644 --- a/src/selci/rdhead.F +++ b/src/selci/rdhead.F @@ -1,6 +1,6 @@ subroutine selci_rdhead(title,type) * -* $Id: rdhead.F,v 1.4 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * #include "implicit.fh" #include "errquit.fh" diff --git a/src/selci/rdhint.F b/src/selci/rdhint.F index af5a33c2c9..35912a835e 100644 --- a/src/selci/rdhint.F +++ b/src/selci/rdhint.F @@ -1,7 +1,7 @@ subroutine selci_rdhint(iflint,ntitle,dtitle,repnuc,nnorbs, $ inttyp, moints) * -* $Id: rdhint.F,v 1.7 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * #include "implicit.fh" #include "errquit.fh" diff --git a/src/selci/rdhwmt.f b/src/selci/rdhwmt.f index bd6ab2d03f..3e8e43ea4e 100644 --- a/src/selci/rdhwmt.f +++ b/src/selci/rdhwmt.f @@ -1,6 +1,6 @@ subroutine selci_rdhwmt(iflwmt,mmulti, nsmax, nf, nfmax, nfmax2) * -* $Id: rdhwmt.f,v 1.2 1997-10-31 23:42:24 d3e129 Exp $ +* $Id$ * dimension nf(0:32) c diff --git a/src/selci/readh.F b/src/selci/readh.F index b17dc54931..a527b71c57 100644 --- a/src/selci/readh.F +++ b/src/selci/readh.F @@ -1,6 +1,6 @@ subroutine selci_readh(iflham,hh,nnci) * -* $Id: readh.F,v 1.2 1997-10-31 23:42:24 d3e129 Exp $ +* $Id$ * #include "implicit.fh" dimension hh(nnci) diff --git a/src/selci/restin.F b/src/selci/restin.F index effcbdf998..36ed8a2514 100644 --- a/src/selci/restin.F +++ b/src/selci/restin.F @@ -2,7 +2,7 @@ subroutine selci_restin(iconf,ept,ept_mp,enew,ptnorm,ptnorm_mp, & nroot,irange,nrange,iwpt, & noconf,ioconf,nintpo,nconmx,ncold) * -* $Id: restin.F,v 1.5 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * implicit real*8(a-h,o-z), integer(i-n) #include "errquit.fh" diff --git a/src/selci/restk.F b/src/selci/restk.F index 6fb7189050..e0513b888e 100644 --- a/src/selci/restk.F +++ b/src/selci/restk.F @@ -1,6 +1,6 @@ subroutine restk * -* $Id: restk.F,v 1.4 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * implicit real*8 (a-h,o-z), integer(i-n) #include "errquit.fh" diff --git a/src/selci/selci.F b/src/selci/selci.F index af4e05587d..57dd2737d2 100644 --- a/src/selci/selci.F +++ b/src/selci/selci.F @@ -1,6 +1,6 @@ logical function selci(rtdb) * -* $Id: selci.F,v 1.13 2004-05-17 20:27:47 edo Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/selci/selci_check.f b/src/selci/selci_check.f index 6261173e7e..61111589fc 100644 --- a/src/selci/selci_check.f +++ b/src/selci/selci_check.f @@ -1,6 +1,6 @@ subroutine selci_check(node) * -* $Id: selci_check.f,v 1.1 2003-04-07 20:55:54 windus Exp $ +* $Id$ * logical opn character*80 filename diff --git a/src/selci/selci_icopy.f b/src/selci/selci_icopy.f index 85df637865..a0d85d2fa9 100644 --- a/src/selci/selci_icopy.f +++ b/src/selci/selci_icopy.f @@ -1,7 +1,7 @@ subroutine selci_icopy(n,x,ix,y,iy) implicit integer (a-z) * -* $Id: selci_icopy.f,v 1.1 2003-04-07 21:58:55 windus Exp $ +* $Id$ * dimension x(*),y(*) c diff --git a/src/selci/selci_output.f b/src/selci/selci_output.f index f1eec70799..a73b60fd2a 100644 --- a/src/selci/selci_output.f +++ b/src/selci/selci_output.f @@ -1,7 +1,7 @@ subroutine selci_output(z,rowlow,rowhi,collow,colhi,rowdim,coldim, $ nctl) * -* $Id: selci_output.f,v 1.1 2003-04-07 23:48:56 windus Exp $ +* $Id$ * c....................................................................... c output prints a real*8 matrix in formatted form with numbered rows diff --git a/src/selci/selci_renorm.f b/src/selci/selci_renorm.f index aac940044d..82f90b6014 100644 --- a/src/selci/selci_renorm.f +++ b/src/selci/selci_renorm.f @@ -1,6 +1,6 @@ subroutine selci_renorm(n,a,ia,anorm) * -* $Id: selci_renorm.f,v 1.1 2003-04-08 00:04:29 windus Exp $ +* $Id$ * implicit double precision (a-h,o-z) dimension a(*) diff --git a/src/selci/selci_select.F b/src/selci/selci_select.F index fae665a713..dcbe8b7222 100644 --- a/src/selci/selci_select.F +++ b/src/selci/selci_select.F @@ -1,7 +1,7 @@ subroutine selci_select(q, lword, nroot_arg, iwpt_arg, $ thresh_arg, oupdate, energies) * -* $Id: selci_select.F,v 1.2 2005-01-31 21:25:17 edo Exp $ +* $Id$ * #include "implicit.fh" #include "ciinfo.fh" diff --git a/src/selci/selci_sread.f b/src/selci/selci_sread.f index 5a81e101a1..d390e87fc8 100644 --- a/src/selci/selci_sread.f +++ b/src/selci/selci_sread.f @@ -1,6 +1,6 @@ subroutine selci_sread(itape,a,n) * -* $Id: selci_sread.f,v 1.2 2003-10-27 23:24:43 marat Exp $ +* $Id$ * real*8 a(n) parameter (lenbuf = 512) diff --git a/src/selci/selci_swrite.f b/src/selci/selci_swrite.f index ef96e146b7..f59770f5dc 100644 --- a/src/selci/selci_swrite.f +++ b/src/selci/selci_swrite.f @@ -1,6 +1,6 @@ subroutine selci_swrite(itape,a,n) * -* $Id: selci_swrite.f,v 1.2 2003-10-27 23:21:39 marat Exp $ +* $Id$ * real*8 a(n) parameter (lenbuf = 512) diff --git a/src/selci/selci_yacobi.f b/src/selci/selci_yacobi.f index 9d9fe85d92..673628f1f8 100644 --- a/src/selci/selci_yacobi.f +++ b/src/selci/selci_yacobi.f @@ -1,7 +1,7 @@ subroutine selci_yacobi(a,u,n,big,jb) implicit real*8(a-h,o-z) * -* $Id: selci_yacobi.f,v 1.1 2003-04-08 00:45:39 windus Exp $ +* $Id$ * dimension a(1),u(1),big(1),jb(1) data zero/0.0d0/ diff --git a/src/selci/sigma.F b/src/selci/sigma.F index 16eedd6c3e..59d0721000 100644 --- a/src/selci/sigma.F +++ b/src/selci/sigma.F @@ -1,6 +1,6 @@ subroutine selci_sigma(iflham,nci,nroot,hd,ci,si) * -* $Id: sigma.F,v 1.4 1997-10-31 23:42:27 d3e129 Exp $ +* $Id$ * implicit real*8 (a-h,o-z) #include "cbuff.fh" diff --git a/src/selci/slect.F b/src/selci/slect.F index 0191e66d7d..d10167bec8 100644 --- a/src/selci/slect.F +++ b/src/selci/slect.F @@ -2,7 +2,7 @@ subroutine selci_slect(q,h,g,int12,int34,w1,w2,ioconf,indxci, $ roots,ci,nconmx,ncold,thresh,ept,enew,irange, ptnorm, & ptnorm_mp,ept_mp,roots_mp,min2c) * -* $Id: slect.F,v 1.5 2005-01-31 21:25:17 edo Exp $ +* $Id$ * #include "implicit.fh" #include "ciinfo.fh" diff --git a/src/selci/spindim.c b/src/selci/spindim.c index 2b14e5ae07..cbd74f90b7 100644 --- a/src/selci/spindim.c +++ b/src/selci/spindim.c @@ -1,5 +1,5 @@ /* - $Id: spindim.c,v 1.2 1997-10-31 23:42:28 d3e129 Exp $ + $Id$ */ #include diff --git a/src/selci/stfunc.fh b/src/selci/stfunc.fh index 9badfee520..9c729798e0 100644 --- a/src/selci/stfunc.fh +++ b/src/selci/stfunc.fh @@ -1,5 +1,5 @@ * -* $Id: stfunc.fh,v 1.2 1997-10-31 23:42:28 d3e129 Exp $ +* $Id$ * c c Statement functions ... assumes ciinfo.h is included diff --git a/src/selci/stool.F b/src/selci/stool.F index 6cb6314492..fe600c9919 100644 --- a/src/selci/stool.F +++ b/src/selci/stool.F @@ -2,7 +2,7 @@ subroutine selci_stool(iconf,ept,ept_mp,enew,ptnorm,ptnorm_mp, & nroot,irange,nrange,iwpt, & noconfi,ioconf,nintpo,nconmx,ncold) * -* $Id: stool.F,v 1.9 2005-01-31 21:25:17 edo Exp $ +* $Id$ * implicit real*8 (a-h,o-z), integer(i-n) #include "errquit.fh" diff --git a/src/selci/tester.F b/src/selci/tester.F index 376586fb66..95a234bf9c 100644 --- a/src/selci/tester.F +++ b/src/selci/tester.F @@ -4,7 +4,7 @@ subroutine selci_tester(q,h, g, int12, int34, w1, w2, ioconf, $ vc, iocc, itemp, irange, ptnorm, $ ptnorm_mp,ept_mp,roots_mp) * -* $Id: tester.F,v 1.7 2005-01-31 21:25:17 edo Exp $ +* $Id$ * #include "implicit.fh" #include "errquit.fh" diff --git a/src/selci/tqlrat.f b/src/selci/tqlrat.f index 471a3a5e7d..7cb04043a0 100644 --- a/src/selci/tqlrat.f +++ b/src/selci/tqlrat.f @@ -1,6 +1,6 @@ subroutine selci_tqlrat(n,d,e2,ierr) * -* $Id: tqlrat.f,v 1.2 1997-10-31 23:42:31 d3e129 Exp $ +* $Id$ * c integer i,j,l,m,n,ii,l1,mml,ierr diff --git a/src/selci/tred1.f b/src/selci/tred1.f index e57b12a272..938a1a10ed 100644 --- a/src/selci/tred1.f +++ b/src/selci/tred1.f @@ -1,6 +1,6 @@ subroutine selci_tred1(nm,n,a,d,e,e2) * -* $Id: tred1.f,v 1.2 1997-10-31 23:42:31 d3e129 Exp $ +* $Id$ * c integer i,j,k,l,n,ii,nm,jp1 diff --git a/src/selci/upkcon.F b/src/selci/upkcon.F index 2ee1b98e77..43e8abffe5 100644 --- a/src/selci/upkcon.F +++ b/src/selci/upkcon.F @@ -1,7 +1,7 @@ subroutine selci_upkcon(norbs, iocc, mocc, nintpo, nbitpi) #include "errquit.fh" * -* $Id: upkcon.F,v 1.3 2003-10-17 22:58:17 carlfahl Exp $ +* $Id$ * dimension iocc(norbs), mocc(nintpo) #include "bitops.fh" diff --git a/src/selci/vadd.f b/src/selci/vadd.f index dd88cdf210..ae72c8dafe 100644 --- a/src/selci/vadd.f +++ b/src/selci/vadd.f @@ -1,6 +1,6 @@ subroutine selci_vadd(n,a,ia,b,ib,c,ic) * -* $Id: vadd.f,v 1.2 1997-10-31 23:42:32 d3e129 Exp $ +* $Id$ * real*8 a(ia,*),b(ib,*),c(ic,*) c diff --git a/src/selci/work.fh b/src/selci/work.fh index 267d422169..7909394d06 100644 --- a/src/selci/work.fh +++ b/src/selci/work.fh @@ -1,5 +1,5 @@ * -* $Id: work.fh,v 1.2 1997-10-31 23:42:32 d3e129 Exp $ +* $Id$ * logical oswit common /work / jrec,jump,istrt(40),inumb(40),iwidth,nend(40), diff --git a/src/selci/workc.fh b/src/selci/workc.fh index fff740475f..8cfc04e292 100644 --- a/src/selci/workc.fh +++ b/src/selci/workc.fh @@ -1,5 +1,5 @@ * -* $Id: workc.fh,v 1.2 1997-10-31 23:42:33 d3e129 Exp $ +* $Id$ * character*80 ia,ja common/workc/ia,ja diff --git a/src/selci/wrtcon.f b/src/selci/wrtcon.f index 4e7a00fb49..4dd8db261a 100644 --- a/src/selci/wrtcon.f +++ b/src/selci/wrtcon.f @@ -1,6 +1,6 @@ subroutine selci_wrtcon(ifllog,iocc,norbs) * -* $Id: wrtcon.f,v 1.3 1997-10-31 23:42:33 d3e129 Exp $ +* $Id$ * dimension iocc(norbs),list(255),locc(255) c diff --git a/src/selci/wtconf.f b/src/selci/wtconf.f index d17ba10e48..b5a5841234 100644 --- a/src/selci/wtconf.f +++ b/src/selci/wtconf.f @@ -1,6 +1,6 @@ subroutine selci_wtconf(ifl,irefo,nn,indxci,mm) * -* $Id: wtconf.f,v 1.2 1997-10-31 23:42:33 d3e129 Exp $ +* $Id$ * dimension irefo(nn),indxci(mm+1) c diff --git a/src/selci/wthcon.f b/src/selci/wthcon.f index f94c6ff347..c9e906ff39 100644 --- a/src/selci/wthcon.f +++ b/src/selci/wthcon.f @@ -3,7 +3,7 @@ subroutine selci_wthcon(iflcon, title, multi, nelec, issss, & nnsmax, nci, noconf, nintpo, nbitpi, nbpsy, isym, nsym, & inttyp,nsneed) * -* $Id: wthcon.f,v 1.2 1997-10-31 23:42:34 d3e129 Exp $ +* $Id$ * character*80 title dimension nbpsy(8), isym(255), nsneed(3) diff --git a/src/space/GNUmakefile b/src/space/GNUmakefile index 636ff31183..da33f6a320 100644 --- a/src/space/GNUmakefile +++ b/src/space/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.5 2007-04-18 18:09:09 d3p307 Exp $ +# $Id$ # # OBJ_OPTIMIZE=sp_init.o sp_main.o diff --git a/src/space/sp_common.fh b/src/space/sp_common.fh index 603af38563..1756028d4b 100644 --- a/src/space/sp_common.fh +++ b/src/space/sp_common.fh @@ -1,5 +1,5 @@ c -c $Id: sp_common.fh,v 1.50 2005-09-14 22:15:51 d3j191 Exp $ +c $Id$ c c conversion factors c diff --git a/src/space/sp_init.F b/src/space/sp_init.F index 7d98c66e1e..b03cbe75d3 100644 --- a/src/space/sp_init.F +++ b/src/space/sp_init.F @@ -9,7 +9,7 @@ subroutine sp_start(lout,lfntop,filtop,lfnrst,filrst, + i_lseqi,ndumsi,nbgeti,npreci,madbxi) c c -c $Id: sp_init.F,v 1.145 2005-11-11 17:48:18 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/space/sp_main.F b/src/space/sp_main.F index 8527176f98..5f9a541a3b 100644 --- a/src/space/sp_main.F +++ b/src/space/sp_main.F @@ -1,7 +1,7 @@ subroutine sp_setup(node,iwl,xw,xwcr,vw,gw,numwm, + isl,xs,xscr,vs,gs,numsa,lpack) c -c $Id: sp_main.F,v 1.98 2006-09-18 15:44:09 d3j191 Exp $ +c $Id$ c implicit none c diff --git a/src/stepper/GNUmakefile b/src/stepper/GNUmakefile index 81cc6ecc96..30ffb03dac 100644 --- a/src/stepper/GNUmakefile +++ b/src/stepper/GNUmakefile @@ -1,4 +1,4 @@ -# $Id: GNUmakefile,v 1.34 2000-08-28 23:26:59 edo Exp $ +# $Id$ HEADERS = OBJ_OPTIMIZE = stpr_partit.o OBJ = stpr_cheker.o stpr_chkhess.o stpr_clnstp.o \ diff --git a/src/stepper/TREE b/src/stepper/TREE index fd22029cb4..d34cfc684b 100644 --- a/src/stepper/TREE +++ b/src/stepper/TREE @@ -1,4 +1,4 @@ -# $Id: TREE,v 1.2 1997-10-31 20:50:33 d3e129 Exp $ +# $Id$ dft_optimize------stpr_walk-----|-stpr_cneed |-stpr_stepper stpr_stepcor-----> diff --git a/src/stepper/chow.fh b/src/stepper/chow.fh index 63d15ed655..e958865a90 100644 --- a/src/stepper/chow.fh +++ b/src/stepper/chow.fh @@ -1,5 +1,5 @@ c -c $Id: chow.fh,v 1.1 1994-06-24 20:42:11 d3e129 Exp $ +c $Id$ c LOGICAL OMIN, TS, STD, TROT, TRTR, MWC COMMON / HOW / OMIN, TS, STD, TROT, TRTR, MWC diff --git a/src/stepper/cstprfiles.fh b/src/stepper/cstprfiles.fh index de23a33eb1..dfacebbd3c 100644 --- a/src/stepper/cstprfiles.fh +++ b/src/stepper/cstprfiles.fh @@ -1,5 +1,5 @@ * -* $Id: cstprfiles.fh,v 1.3 1997-10-31 20:50:34 d3e129 Exp $ +* $Id$ * CHARACTER*255 FILE41 ! dump file (need for restart) CHARACTER*255 FILE44 ! mode for tracking (need for restart) diff --git a/src/stepper/debye.tex b/src/stepper/debye.tex index 2f96724c87..e27433ec9a 100644 --- a/src/stepper/debye.tex +++ b/src/stepper/debye.tex @@ -1,4 +1,4 @@ -# $Id: debye.tex,v 1.1 1998-09-29 16:48:50 d3e129 Exp $ +# $Id$ 1 debye = 10**(-18) esu cm ! from A physicists desk reference 1 debye = 3.33564 x 10**(-30) Cm ! Coulumb meters diff --git a/src/stepper/distang.F b/src/stepper/distang.F index 49f399a062..5e5ef60ef6 100644 --- a/src/stepper/distang.F +++ b/src/stepper/distang.F @@ -1,5 +1,5 @@ subroutine distan(nat,coord) -C $Id: distang.F,v 1.7 1997-12-01 21:50:33 d3e129 Exp $ +C $Id$ implicit none integer nat,i,j double precision dist diff --git a/src/stepper/graveyard b/src/stepper/graveyard index 0203ea6e88..499024e9b0 100644 --- a/src/stepper/graveyard +++ b/src/stepper/graveyard @@ -1,6 +1,6 @@ logical function stpr_gen_apphess_at(rtdb,delta,flag,do_opt) implicit none -* $Id: graveyard,v 1.1 1996-07-26 16:39:24 d3g681 Exp $ +* $Id$ #include "mafdecls.fh" #include "global.fh" #include "geom.fh" @@ -520,7 +520,7 @@ c... free memory ignore_status = rtdb_parallel(.true.) end logical function stpr_gen_apphess_opt(rtdb,delta,flag) -* $Id: graveyard,v 1.1 1996-07-26 16:39:24 d3g681 Exp $ +* $Id$ implicit none c c function to generate approximate hessian and optimize diff --git a/src/stepper/read_genr.F b/src/stepper/read_genr.F index b89f059148..298f82f74b 100644 --- a/src/stepper/read_genr.F +++ b/src/stepper/read_genr.F @@ -121,7 +121,7 @@ subroutine output (z,rowlow,rowhi,collow,colhi,rowdim,coldim, c author; nelson h.f. beebe, quantum theory project, university of c florida, gainesville c....................................................................... -C$Id: read_genr.F,v 1.2 1999-07-08 19:11:01 d3e129 Exp $ +C$Id$ implicit none integer rowlow,rowhi,collow,colhi,rowdim,coldim,begin,kcol integer nctl, i, j, last, k diff --git a/src/stepper/stepper_inp.F b/src/stepper/stepper_inp.F index 460d39d575..a592630a90 100644 --- a/src/stepper/stepper_inp.F +++ b/src/stepper/stepper_inp.F @@ -1,5 +1,5 @@ subroutine stepper_input(rtdb) -C $Id: stepper_inp.F,v 1.6 2003-10-17 22:58:22 carlfahl Exp $ +C $Id$ implicit none #include "errquit.fh" #include "rtdb.fh" diff --git a/src/stepper/stpr_call_tree.doc b/src/stepper/stpr_call_tree.doc index fd4314472f..3a61f2c2b0 100644 --- a/src/stepper/stpr_call_tree.doc +++ b/src/stepper/stpr_call_tree.doc @@ -1,4 +1,4 @@ -# $Id: stpr_call_tree.doc,v 1.2 1997-10-31 20:50:34 d3e129 Exp $ +# $Id$ stpr_walk | diff --git a/src/stepper/stpr_cheker.F b/src/stepper/stpr_cheker.F index e74f594814..78432b6b7a 100644 --- a/src/stepper/stpr_cheker.F +++ b/src/stepper/stpr_cheker.F @@ -4,7 +4,7 @@ SUBROUTINE stpr_cheker( & CONVGE, CONVGG, CONVGGM, & TRUSTI,TRUST,TRUSTO,SOLD,NNEG,NWALK, & BCKSTP,CNVGRD) -c $Id: stpr_cheker.F,v 1.9 2003-10-17 22:58:22 carlfahl Exp $ +c $Id$ IMPLICIT REAL*8(A-H,O-Z), INTEGER(I-N) #include "errquit.fh" LOGICAL BCKSTP,CNVGRD diff --git a/src/stepper/stpr_chkhess.F b/src/stepper/stpr_chkhess.F index ef6d2dad10..1a96ad18cd 100644 --- a/src/stepper/stpr_chkhess.F +++ b/src/stepper/stpr_chkhess.F @@ -1,5 +1,5 @@ SUBROUTINE stpr_chkhess(HESS) -c $Id: stpr_chkhess.F,v 1.1 2003-10-17 22:35:29 carlfahl Exp $ +c $Id$ C C This routine checks to make sure the analytic Hessian C is symmetric. diff --git a/src/stepper/stpr_clean.fh b/src/stepper/stpr_clean.fh index 32286fd56b..1357873f7e 100644 --- a/src/stepper/stpr_clean.fh +++ b/src/stepper/stpr_clean.fh @@ -1,4 +1,4 @@ -* $Id: stpr_clean.fh,v 1.2 1996-06-22 00:54:12 d3e129 Exp $ +* $Id$ double precision thrcln parameter (thrcln=1.0d-06) * DATA THRCLN/1.D-6/ diff --git a/src/stepper/stpr_clnstp.F b/src/stepper/stpr_clnstp.F index d622ae3dc9..c87419f0ef 100644 --- a/src/stepper/stpr_clnstp.F +++ b/src/stepper/stpr_clnstp.F @@ -1,5 +1,5 @@ SUBROUTINE stpr_clnstp(STEP,THRES) -c $Id: stpr_clnstp.F,v 1.2 1997-03-04 06:07:52 d3e129 Exp $ +c $Id$ IMPLICIT REAL*8(A-H,O-Z), INTEGER(I-N) COMMON / CFACE / IWCTR,NATOM,ICALC COMMON / DIMS / NAT3, NAT3SQ, NAT3TR diff --git a/src/stepper/stpr_cneed.f b/src/stepper/stpr_cneed.f index 6136c0d12a..10deef6831 100644 --- a/src/stepper/stpr_cneed.f +++ b/src/stepper/stpr_cneed.f @@ -1,5 +1,5 @@ SUBROUTINE stpr_cneed(INEED, NATD) -c $Id: stpr_cneed.f,v 1.1 1994-06-24 20:42:17 d3e129 Exp $ +c $Id$ IMPLICIT REAL*8(A-H,O-Z), INTEGER(I-N) COMMON / STAPES / ITAP05, ITAP06, ITAP41, & ITAP44, ITAP45 diff --git a/src/stepper/stpr_cross.f b/src/stepper/stpr_cross.f index b044debb0b..1e612811ff 100644 --- a/src/stepper/stpr_cross.f +++ b/src/stepper/stpr_cross.f @@ -1,5 +1,5 @@ SUBROUTINE stpr_cross(V1,V2,V3) -c $Id: stpr_cross.f,v 1.1 1994-06-24 20:42:18 d3e129 Exp $ +c $Id$ C C form cross product v1 x v2. C diff --git a/src/stepper/stpr_datestp.f b/src/stepper/stpr_datestp.f index be55959999..cb26ef0b9a 100644 --- a/src/stepper/stpr_datestp.f +++ b/src/stepper/stpr_datestp.f @@ -1,5 +1,5 @@ subroutine stpr_datestp(iunit,msg) -* $Id: stpr_datestp.f,v 1.1 1995-12-12 20:18:42 d3e129 Exp $ +* $Id$ c c prints date stamp and message "msg" to unit "iunit" c diff --git a/src/stepper/stpr_driver.F b/src/stepper/stpr_driver.F index 24fbc1ed80..40ffcad913 100644 --- a/src/stepper/stpr_driver.F +++ b/src/stepper/stpr_driver.F @@ -6,7 +6,7 @@ SUBROUTINE stpr_driver( & CMASS, TENIN, ENERGY, E2NEW, TRUST, & CONVGE, CONVGG, CONVGGM, & NMODE, TRACK, RPATH, BCKSTP, CNVGRD, rtdb ) -c $Id: stpr_driver.F,v 1.11 1998-04-21 06:57:26 mdupuis Exp $ +c $Id$ IMPLICIT REAL*8(A-H,O-Z), INTEGER(I-N) LOGICAL TRACK,BCKSTP,CNVGRD,RPATH #include "chow.fh" diff --git a/src/stepper/stpr_face.F b/src/stepper/stpr_face.F index 9c7a40c7a3..a392dfe61c 100644 --- a/src/stepper/stpr_face.F +++ b/src/stepper/stpr_face.F @@ -19,7 +19,7 @@ SUBROUTINE stpr_face ( & NATD, NMODE, & TRACK, BCKSTP, RPATH , rtdb, step_number) c -c $Id: stpr_face.F,v 1.15 2003-10-17 22:58:22 carlfahl Exp $ +c $Id$ c IMPLICIT REAL*8(A-H,O-Z), INTEGER(I-N) #include "errquit.fh" diff --git a/src/stepper/stpr_filenames.F b/src/stepper/stpr_filenames.F index 99b7b66a2b..10dd358c5f 100644 --- a/src/stepper/stpr_filenames.F +++ b/src/stepper/stpr_filenames.F @@ -1,6 +1,6 @@ subroutine stpr_filenames * -* $Id: stpr_filenames.F,v 1.3 1997-10-31 20:50:35 d3e129 Exp $ +* $Id$ * implicit none #include "cstprfiles.fh" diff --git a/src/stepper/stpr_fndmde.F b/src/stepper/stpr_fndmde.F index d98513e572..91bf272e3e 100644 --- a/src/stepper/stpr_fndmde.F +++ b/src/stepper/stpr_fndmde.F @@ -1,5 +1,5 @@ SUBROUTINE stpr_fndmde(STEP,SELECT,VC,NINTER,NAT3,NMODE) -c $Id: stpr_fndmde.F,v 1.3 1996-07-17 16:36:43 d3g681 Exp $ +c $Id$ IMPLICIT REAL*8(A-H,O-Z), INTEGER(I-N) LOGICAL FIND COMMON / STAPES / ITAP05, ITAP06, ITAP41, diff --git a/src/stepper/stpr_formup.F b/src/stepper/stpr_formup.F index d61c1c05e5..187be32779 100644 --- a/src/stepper/stpr_formup.F +++ b/src/stepper/stpr_formup.F @@ -1,5 +1,5 @@ SUBROUTINE stpr_formup(HESS,GRADC,GRADD,COORDC,COORDD,SCR,rtdb) -c $Id: stpr_formup.F,v 1.2 2003-10-17 22:58:22 carlfahl Exp $ +c $Id$ C C HESS = hessian to be updated C GRADC = current gradient diff --git a/src/stepper/stpr_gen_aux.F b/src/stepper/stpr_gen_aux.F index c090bfe29e..28fd09439a 100644 --- a/src/stepper/stpr_gen_aux.F +++ b/src/stepper/stpr_gen_aux.F @@ -1,5 +1,5 @@ * -* $Id: stpr_gen_aux.F,v 1.14 2006-02-08 16:30:51 windus Exp $ +* $Id$ * * this file contains auxilary routines to stpr_gen functions * diff --git a/src/stepper/stpr_gh_at.F b/src/stepper/stpr_gh_at.F index a764c26ef7..f93a095ffb 100644 --- a/src/stepper/stpr_gh_at.F +++ b/src/stepper/stpr_gh_at.F @@ -2,7 +2,7 @@ logical function stpr_gen_hess_at(rtdb,delta) implicit none #include "errquit.fh" * -* $Id: stpr_gh_at.F,v 1.26 2005-01-25 21:22:34 edo Exp $ +* $Id$ * routine to generate hessian at current geometry using default basis set * ra kendall 7/95 PNL * diff --git a/src/stepper/stpr_gmass.f b/src/stepper/stpr_gmass.f index b08f58bcbe..a5af2c6345 100644 --- a/src/stepper/stpr_gmass.f +++ b/src/stepper/stpr_gmass.f @@ -1,5 +1,5 @@ SUBROUTINE stpr_gmass(GRAD,ATMASS) -c $Id: stpr_gmass.f,v 1.1 1994-06-24 20:42:23 d3e129 Exp $ +c $Id$ C C This routine mass weights the gradient vector. C diff --git a/src/stepper/stpr_hesupd.F b/src/stepper/stpr_hesupd.F index 8f0a541365..d54706068a 100644 --- a/src/stepper/stpr_hesupd.F +++ b/src/stepper/stpr_hesupd.F @@ -1,5 +1,5 @@ SUBROUTINE stpr_hesupd ( STEP, GRAD, HESIAN, SCR ) -c $Id: stpr_hesupd.F,v 1.3 2003-10-17 22:58:22 carlfahl Exp $ +c $Id$ C C This subroutine updates the hessian using the hessian from the C old geometry and the difference in the coordinates and diff --git a/src/stepper/stpr_hmass.f b/src/stepper/stpr_hmass.f index 7c95d22335..74dd5dc390 100644 --- a/src/stepper/stpr_hmass.f +++ b/src/stepper/stpr_hmass.f @@ -1,5 +1,5 @@ SUBROUTINE stpr_hmass(HESS,ATMASS) -c $Id: stpr_hmass.f,v 1.1 1994-06-24 20:42:25 d3e129 Exp $ +c $Id$ C C This routine mass weights and scales the Hessian matrix. C The scaling is done to avoid numerical problems in the diff --git a/src/stepper/stpr_inP.fh b/src/stepper/stpr_inP.fh index a20d0d45e2..0efe4fbdbc 100644 --- a/src/stepper/stpr_inP.fh +++ b/src/stepper/stpr_inP.fh @@ -1,6 +1,6 @@ c integer ns_log, ns_int, ns_dbl -C$Id: stpr_inP.fh,v 1.4 1998-04-21 06:57:28 mdupuis Exp $ +C$Id$ parameter (ns_log = 14) parameter (ns_int = 2) parameter (ns_dbl = 8) diff --git a/src/stepper/stpr_inihes.F b/src/stepper/stpr_inihes.F index b8e761be97..f9507a86df 100644 --- a/src/stepper/stpr_inihes.F +++ b/src/stepper/stpr_inihes.F @@ -1,5 +1,5 @@ SUBROUTINE stpr_inihes ( HESIAN,rtdb ) -c $Id: stpr_inihes.F,v 1.6 2003-10-17 22:58:22 carlfahl Exp $ +c $Id$ IMPLICIT REAL*8(A-H,O-Z), INTEGER(I-N) #include "errquit.fh" PARAMETER (ZERO=0.0D0, ONE=1.0D0) diff --git a/src/stepper/stpr_locate.f b/src/stepper/stpr_locate.f index db20f3f351..9356b0b12f 100644 --- a/src/stepper/stpr_locate.f +++ b/src/stepper/stpr_locate.f @@ -1,5 +1,5 @@ SUBROUTINE stpr_locate(INPUT,TOKEN,IERROR) -c $Id: stpr_locate.f,v 1.1 1994-06-24 20:42:29 d3e129 Exp $ +c $Id$ C ----- SEARCH THROUGH INPUT FILE FOR TOKEN TO LOCATE INPUT FOR C PROGRAM. IERROR IS SET TO 0 IF NO ERRORS, 1 IF ANY ERROR C OCCURS. diff --git a/src/stepper/stpr_matout.f b/src/stepper/stpr_matout.f index 6b5819365b..3d7d65093b 100644 --- a/src/stepper/stpr_matout.f +++ b/src/stepper/stpr_matout.f @@ -1,5 +1,5 @@ SUBROUTINE stpr_matout(A,NR,NC,M) -c $Id: stpr_matout.f,v 1.1 1994-06-24 20:42:30 d3e129 Exp $ +c $Id$ IMPLICIT REAL*8(A-H,O-Z), INTEGER(I-N) C C Rectangular array output. diff --git a/src/stepper/stpr_mgeom.f b/src/stepper/stpr_mgeom.f index 5ae4cb99fa..9fd0800969 100644 --- a/src/stepper/stpr_mgeom.f +++ b/src/stepper/stpr_mgeom.f @@ -1,5 +1,5 @@ SUBROUTINE stpr_mgeom(COORD,ATMASS,CMASS,TENIN) -c $Id: stpr_mgeom.f,v 1.3 1998-05-05 21:48:13 d3e129 Exp $ +c $Id$ C C This routine calculates vector of the center of mass C and tensor of inertia. diff --git a/src/stepper/stpr_mkstep.F b/src/stepper/stpr_mkstep.F index 363653304a..9e5a56f1c3 100644 --- a/src/stepper/stpr_mkstep.F +++ b/src/stepper/stpr_mkstep.F @@ -3,7 +3,7 @@ SUBROUTINE stpr_mkstep( & ENERGY, CONVGE, CONVGG, CONVGGM, GRAD_MAX, & E2NEW,NINTER,NAT3,NMODE,TRUSTI,BCKSTP, & CNVGRD,rtdb) -c $Id: stpr_mkstep.F,v 1.9 2003-10-17 22:58:22 carlfahl Exp $ +c $Id$ IMPLICIT REAL*8(A-H,O-Z), INTEGER(I-N) #include "errquit.fh" LOGICAL BCKSTP,CNVGRD,LPRINT, oprint, oprint_step diff --git a/src/stepper/stpr_mktri.f b/src/stepper/stpr_mktri.f index e9af507cb8..0689bff7ad 100644 --- a/src/stepper/stpr_mktri.f +++ b/src/stepper/stpr_mktri.f @@ -1,5 +1,5 @@ SUBROUTINE stpr_mktri (H, HTRI) -c $Id: stpr_mktri.f,v 1.1 1994-06-24 20:42:33 d3e129 Exp $ +c $Id$ C C opposite of BLOWUP; contract square symmetric matrix C to lower triangular form. diff --git a/src/stepper/stpr_output.F b/src/stepper/stpr_output.F index 18ca105bbb..7cad17f22f 100644 --- a/src/stepper/stpr_output.F +++ b/src/stepper/stpr_output.F @@ -1,6 +1,6 @@ SUBROUTINE stpr_output(STEP,COORD,BCKSTP, mxgrad, & convggm, convgg, convge ) -c $Id: stpr_output.F,v 1.11 1999-01-15 19:51:50 d3e129 Exp $ +c $Id$ IMPLICIT REAL*8(A-H,O-Z), INTEGER(I-N) #include "util.fh" #include "mafdecls.fh" diff --git a/src/stepper/stpr_partit.F b/src/stepper/stpr_partit.F index 6103b42496..4fac0e94d4 100644 --- a/src/stepper/stpr_partit.F +++ b/src/stepper/stpr_partit.F @@ -4,7 +4,7 @@ SUBROUTINE stpr_partit(rtdb, & ATMASS, CMASS, TENIN, ENERGY, & CONVGE, CONVGG, CONVGGM, & NINTER, NMODE, RPATH, TRACK, BCKSTP) -c $Id: stpr_partit.F,v 1.12 2003-10-17 22:58:22 carlfahl Exp $ +c $Id$ c IMPLICIT REAL*8(A-H,O-Z), INTEGER(I-N) #include "errquit.fh" diff --git a/src/stepper/stpr_place.F b/src/stepper/stpr_place.F index 49673b29ce..d1b421652d 100644 --- a/src/stepper/stpr_place.F +++ b/src/stepper/stpr_place.F @@ -1,5 +1,5 @@ SUBROUTINE stpr_place(HESS,GRAD,COORD,ENERGY,IERR) -c $Id: stpr_place.F,v 1.2 1996-07-17 16:36:48 d3g681 Exp $ +c $Id$ IMPLICIT REAL*8(A-H,O-Z), INTEGER(I-N) COMMON / STAPES / ITAP05, ITAP06, ITAP41, & ITAP44, ITAP45 diff --git a/src/stepper/stpr_pmat.f b/src/stepper/stpr_pmat.f index 9e066cf42c..d1302a138f 100644 --- a/src/stepper/stpr_pmat.f +++ b/src/stepper/stpr_pmat.f @@ -1,5 +1,5 @@ SUBROUTINE stpr_pmat(VC,P,NEXTER) -c $Id: stpr_pmat.f,v 1.1 1994-06-24 20:42:37 d3e129 Exp $ +c $Id$ C C This routine constructs P matrix. C diff --git a/src/stepper/stpr_prntpd.f b/src/stepper/stpr_prntpd.f index bceb6b6653..6f83fa0646 100644 --- a/src/stepper/stpr_prntpd.f +++ b/src/stepper/stpr_prntpd.f @@ -1,5 +1,5 @@ SUBROUTINE stpr_prntpd(A,NAD,M,IOUT2) -c $Id: stpr_prntpd.f,v 1.1 1994-06-24 20:42:38 d3e129 Exp $ +c $Id$ IMPLICIT REAL*8(A-H,O-Z), INTEGER(I-N) C CHARACTER*5 LINE diff --git a/src/stepper/stpr_projec.f b/src/stepper/stpr_projec.f index cf50a92289..7cb360d946 100644 --- a/src/stepper/stpr_projec.f +++ b/src/stepper/stpr_projec.f @@ -1,5 +1,5 @@ SUBROUTINE stpr_projec(HESS,P,HMP) -c $Id: stpr_projec.f,v 1.1 1994-06-24 20:42:39 d3e129 Exp $ +c $Id$ C C This routine constructs HMP = (1-P)H(1-P) C where H is the mass weighted hessian. diff --git a/src/stepper/stpr_putbck.f b/src/stepper/stpr_putbck.f index 679a0ed261..df1163682f 100644 --- a/src/stepper/stpr_putbck.f +++ b/src/stepper/stpr_putbck.f @@ -1,5 +1,5 @@ SUBROUTINE stpr_putbck ( COORD, C ) -c $Id: stpr_putbck.f,v 1.1 1994-06-24 20:42:40 d3e129 Exp $ +c $Id$ IMPLICIT REAL*8(A-H,O-Z), INTEGER(I-N) COMMON / DIMS / NAT3, NAT3SQ, NAT3TR COMMON / CFACE / IWCTR,NATOM,ICALC diff --git a/src/stepper/stpr_readsq.F b/src/stepper/stpr_readsq.F index 5b2ae3aada..f641b17ff6 100644 --- a/src/stepper/stpr_readsq.F +++ b/src/stepper/stpr_readsq.F @@ -1,5 +1,5 @@ SUBROUTINE stpr_readsq (IUNIT,A,LEN,IERR) -c $Id: stpr_readsq.F,v 1.1 1994-10-26 23:26:10 d3e129 Exp $ +c $Id$ INTEGER LEN, IUNIT, IERR REAL*8 A(LEN) #if defined (SGITFP) diff --git a/src/stepper/stpr_save.F b/src/stepper/stpr_save.F index 35c7f3b04f..f642f2b2dc 100644 --- a/src/stepper/stpr_save.F +++ b/src/stepper/stpr_save.F @@ -1,5 +1,5 @@ SUBROUTINE stpr_SAVE(HESS,GRAD,COORD,ENERGY,IERR) -c $Id: stpr_save.F,v 1.5 1998-04-21 06:57:30 mdupuis Exp $ +c $Id$ IMPLICIT REAL*8(A-H,O-Z), INTEGER(I-N) LOGICAL SECO, SWSEC, SWFIR COMMON / STAPES / ITAP05, ITAP06, ITAP41, diff --git a/src/stepper/stpr_setmass.f b/src/stepper/stpr_setmass.f index 6d47679df9..a18fa7cbc4 100644 --- a/src/stepper/stpr_setmass.f +++ b/src/stepper/stpr_setmass.f @@ -1,5 +1,5 @@ SUBROUTINE stpr_setmass(AMS) -c $Id: stpr_setmass.f,v 1.1 1994-06-24 20:42:43 d3e129 Exp $ +c $Id$ IMPLICIT REAL*8(A-H,O-Z), INTEGER(I-N) COMMON / MASS / TOTM, NUMAS DIMENSION AMS(NUMAS) diff --git a/src/stepper/stpr_stepcor.F b/src/stepper/stpr_stepcor.F index 58c81ff067..ff115e5474 100644 --- a/src/stepper/stpr_stepcor.F +++ b/src/stepper/stpr_stepcor.F @@ -1,7 +1,7 @@ SUBROUTINE stpr_stepcor(A,INEED,G,C,ETOT,NATD, & CONVGE,CONVGG,CONVGGM, & cnvgrd, rtdb, step_number) -c $Id: stpr_stepcor.F,v 1.7 1998-09-28 18:44:26 windus Exp $ +c $Id$ IMPLICIT REAL*8(A-H,O-Z), INTEGER(I-N) #include "util.fh" #include "cstprfiles.fh" diff --git a/src/stepper/stpr_stepper.f b/src/stepper/stpr_stepper.f index a95f9fbb12..696097e659 100644 --- a/src/stepper/stpr_stepper.f +++ b/src/stepper/stpr_stepper.f @@ -1,7 +1,7 @@ SUBROUTINE stpr_stepper(A,ILEFT,G,C,ETOT,NATD, & CONVGE,CONVGG,CONVGGM, & converged, rtdb, step_number) -c $Id: stpr_stepper.f,v 1.5 1998-04-21 06:57:31 mdupuis Exp $ +c $Id$ IMPLICIT REAL*8(A-H,O-Z), INTEGER(I-N) integer rtdb integer step_number diff --git a/src/stepper/stpr_sumstc.F b/src/stepper/stpr_sumstc.F index 21ffd2d6f5..8ecea99a0e 100644 --- a/src/stepper/stpr_sumstc.F +++ b/src/stepper/stpr_sumstc.F @@ -1,5 +1,5 @@ SUBROUTINE stpr_sumstc(STEP,COORD,ATMASS,CMASS,TENIN,CNVGRD) -c $Id: stpr_sumstc.F,v 1.5 1998-01-09 15:25:38 d3e129 Exp $ +c $Id$ IMPLICIT REAL*8(A-H,O-Z), INTEGER(I-N) LOGICAL CNVGRD COMMON / CFACE / IWCTR,NATOM,ICALC diff --git a/src/stepper/stpr_tprntd.f b/src/stepper/stpr_tprntd.f index e5fe71cf67..3a08a0ad9a 100644 --- a/src/stepper/stpr_tprntd.f +++ b/src/stepper/stpr_tprntd.f @@ -1,5 +1,5 @@ SUBROUTINE stpr_tprntd(A,NR) -c $Id: stpr_tprntd.f,v 1.1 1994-06-24 20:42:48 d3e129 Exp $ +c $Id$ IMPLICIT REAL*8(A-H,O-Z), INTEGER(I-N) CHARACTER*15 LINE(5) C diff --git a/src/stepper/stpr_uprcase.f b/src/stepper/stpr_uprcase.f index e9d73a718f..e0e59435ce 100644 --- a/src/stepper/stpr_uprcase.f +++ b/src/stepper/stpr_uprcase.f @@ -1,5 +1,5 @@ SUBROUTINE stpr_uprcase (ANSWER) -c $Id: stpr_uprcase.f,v 1.1 1994-06-24 20:42:49 d3e129 Exp $ +c $Id$ C C Converts ANSWER to upper case letters. C diff --git a/src/stepper/stpr_walk.F b/src/stepper/stpr_walk.F index 0beacbd2db..658b6c1cc1 100644 --- a/src/stepper/stpr_walk.F +++ b/src/stepper/stpr_walk.F @@ -1,5 +1,5 @@ integer function stpr_walk(rtdb) -c $Id: stpr_walk.F,v 1.36 2003-10-17 22:58:22 carlfahl Exp $ +c $Id$ implicit none #include "errquit.fh" c diff --git a/src/stepper/stpr_wlkchk.F b/src/stepper/stpr_wlkchk.F index ff4fe8715c..c2540e50c9 100644 --- a/src/stepper/stpr_wlkchk.F +++ b/src/stepper/stpr_wlkchk.F @@ -1,5 +1,5 @@ SUBROUTINE stpr_wlkchk(ENEW,CONVGE,BCKSTP,NMODE) -c $Id: stpr_wlkchk.F,v 1.2 1997-03-26 18:19:12 d3h449 Exp $ +c $Id$ C C Determination of walk information. C diff --git a/src/stepper/stpr_wrtsq.F b/src/stepper/stpr_wrtsq.F index b2df26782d..0d9b5c726d 100644 --- a/src/stepper/stpr_wrtsq.F +++ b/src/stepper/stpr_wrtsq.F @@ -1,5 +1,5 @@ SUBROUTINE stpr_wrtsq (IUNIT,A,LEN,IERR) -c $Id: stpr_wrtsq.F,v 1.1 1994-10-26 23:26:14 d3e129 Exp $ +c $Id$ INTEGER LEN, IUNIT, IERR REAL*8 A(LEN) #if defined (SGITFP) diff --git a/src/stubs_win32.F b/src/stubs_win32.F index 18e2089a2c..05e53eba70 100644 --- a/src/stubs_win32.F +++ b/src/stubs_win32.F @@ -1,6 +1,6 @@ Subroutine Module_Census include "errquit.fh" -* $Id: stubs_win32.F,v 1.7 2003-10-17 22:53:32 carlfahl Exp $ +* $Id$ C C Eventually this routine should print out a list of modules or C tasks or something which are incorporated into the present @@ -13,7 +13,7 @@ Subroutine Module_Census End Subroutine debtest(RTDB) include "errquit.fh" -* $Id: stubs_win32.F,v 1.7 2003-10-17 22:53:32 carlfahl Exp $ +* $Id$ Integer RTDB Call ErrQuit( $ 'debtest is not in this build of NWChem', 0, CAPMIS_ERR) @@ -21,7 +21,7 @@ Subroutine debtest(RTDB) End Subroutine gap_parse(RTDB) include "errquit.fh" -* $Id: stubs_win32.F,v 1.7 2003-10-17 22:53:32 carlfahl Exp $ +* $Id$ Integer RTDB Call ErrQuit( $ 'gap_parse is not in this build of NWChem', 0, CAPMIS_ERR) @@ -29,7 +29,7 @@ Subroutine gap_parse(RTDB) End Subroutine gapss(RTDB) include "errquit.fh" -* $Id: stubs_win32.F,v 1.7 2003-10-17 22:53:32 carlfahl Exp $ +* $Id$ Integer RTDB Call ErrQuit( $ 'gapss is not in this build of NWChem', 0, CAPMIS_ERR) @@ -37,7 +37,7 @@ Subroutine gapss(RTDB) End Subroutine ideaz_input(RTDB) include "errquit.fh" -* $Id: stubs_win32.F,v 1.7 2003-10-17 22:53:32 carlfahl Exp $ +* $Id$ Integer RTDB Call ErrQuit( $ 'ideaz_input is not in this build of NWChem', 0, CAPMIS_ERR) @@ -45,7 +45,7 @@ Subroutine ideaz_input(RTDB) End Subroutine jantest(RTDB) include "errquit.fh" -* $Id: stubs_win32.F,v 1.7 2003-10-17 22:53:32 carlfahl Exp $ +* $Id$ Integer RTDB Call ErrQuit( $ 'jantest is not in this build of NWChem', 0, CAPMIS_ERR) @@ -53,7 +53,7 @@ Subroutine jantest(RTDB) End Subroutine jvltest(RTDB) include "errquit.fh" -* $Id: stubs_win32.F,v 1.7 2003-10-17 22:53:32 carlfahl Exp $ +* $Id$ Integer RTDB Call ErrQuit( $ 'jvltest is not in this build of NWChem', 0, CAPMIS_ERR) @@ -61,7 +61,7 @@ Subroutine jvltest(RTDB) End Subroutine jvltest2(RTDB) include "errquit.fh" -* $Id: stubs_win32.F,v 1.7 2003-10-17 22:53:32 carlfahl Exp $ +* $Id$ Integer RTDB Call ErrQuit( $ 'jvltest2 is not in this build of NWChem', 0, CAPMIS_ERR) @@ -69,7 +69,7 @@ Subroutine jvltest2(RTDB) End Subroutine kgdtest(RTDB) include "errquit.fh" -* $Id: stubs_win32.F,v 1.7 2003-10-17 22:53:32 carlfahl Exp $ +* $Id$ Integer RTDB Call ErrQuit( $ 'kgdtest is not in this build of NWChem', 0, CAPMIS_ERR) @@ -77,7 +77,7 @@ Subroutine kgdtest(RTDB) End Subroutine mdmain(RTDB) include "errquit.fh" -* $Id: stubs_win32.F,v 1.7 2003-10-17 22:53:32 carlfahl Exp $ +* $Id$ Integer RTDB Call ErrQuit( $ 'mdmain is not in this build of NWChem', 0, CAPMIS_ERR) @@ -85,7 +85,7 @@ Subroutine mdmain(RTDB) End Subroutine oimp2(RTDB) include "errquit.fh" -* $Id: stubs_win32.F,v 1.7 2003-10-17 22:53:32 carlfahl Exp $ +* $Id$ Integer RTDB Call ErrQuit( $ 'oimp2 is not in this build of NWChem', 0, CAPMIS_ERR) @@ -93,7 +93,7 @@ Subroutine oimp2(RTDB) End Subroutine plnwv(RTDB) include "errquit.fh" -* $Id: stubs_win32.F,v 1.7 2003-10-17 22:53:32 carlfahl Exp $ +* $Id$ Integer RTDB Call ErrQuit( $ 'plnwv is not in this build of NWChem', 0, CAPMIS_ERR) @@ -101,7 +101,7 @@ Subroutine plnwv(RTDB) End Subroutine plnwv_input(RTDB) include "errquit.fh" -* $Id: stubs_win32.F,v 1.7 2003-10-17 22:53:32 carlfahl Exp $ +* $Id$ Integer RTDB Call ErrQuit( $ 'plnwv_input is not in this build of NWChem', 0, CAPMIS_ERR) @@ -109,7 +109,7 @@ Subroutine plnwv_input(RTDB) End Subroutine raktest(RTDB) include "errquit.fh" -* $Id: stubs_win32.F,v 1.7 2003-10-17 22:53:32 carlfahl Exp $ +* $Id$ Integer RTDB Call ErrQuit( $ 'raktest is not in this build of NWChem', 0, CAPMIS_ERR) @@ -117,7 +117,7 @@ Subroutine raktest(RTDB) End Subroutine rimp2g(RTDB) include "errquit.fh" -* $Id: stubs_win32.F,v 1.7 2003-10-17 22:53:32 carlfahl Exp $ +* $Id$ Integer RTDB Call ErrQuit( $ 'rimp2g is not in this build of NWChem', 0, CAPMIS_ERR) @@ -125,7 +125,7 @@ Subroutine rimp2g(RTDB) End Subroutine rjhtest(RTDB) include "errquit.fh" -* $Id: stubs_win32.F,v 1.7 2003-10-17 22:53:32 carlfahl Exp $ +* $Id$ Integer RTDB Call ErrQuit( $ 'rjhtest is not in this build of NWChem', 0, CAPMIS_ERR) @@ -134,7 +134,7 @@ Subroutine rjhtest(RTDB) #ifndef WITHPYTHON Subroutine python_input(RTDB) include "errquit.fh" -* $Id: stubs_win32.F,v 1.7 2003-10-17 22:53:32 carlfahl Exp $ +* $Id$ Integer RTDB Call ErrQuit( $ 'python_input is not in this build of NWChem', 0, CAPMIS_ERR) @@ -142,7 +142,7 @@ Subroutine python_input(RTDB) End Subroutine task_python(RTDB) include "errquit.fh" -* $Id: stubs_win32.F,v 1.7 2003-10-17 22:53:32 carlfahl Exp $ +* $Id$ Integer RTDB Call ErrQuit( $ 'task_python is not in this build of NWChem', 0, CAPMIS_ERR) @@ -151,7 +151,7 @@ Subroutine task_python(RTDB) #endif Subroutine task_vscf(RTDB) include "errquit.fh" -* $Id: stubs_win32.F,v 1.7 2003-10-17 22:53:32 carlfahl Exp $ +* $Id$ Integer RTDB Call ErrQuit( $ 'task_vscf is not in this build of NWChem', 0, CAPMIS_ERR) @@ -159,7 +159,7 @@ Subroutine task_vscf(RTDB) End Subroutine uccsdt(RTDB) include "errquit.fh" -* $Id: stubs_win32.F,v 1.7 2003-10-17 22:53:32 carlfahl Exp $ +* $Id$ Integer RTDB Call ErrQuit( $ 'uccsdt is not in this build of NWChem', 0, CAPMIS_ERR) @@ -167,7 +167,7 @@ Subroutine uccsdt(RTDB) End Subroutine uccsdtest(RTDB) include "errquit.fh" -* $Id: stubs_win32.F,v 1.7 2003-10-17 22:53:32 carlfahl Exp $ +* $Id$ Integer RTDB Call ErrQuit( $ 'uccsdtest is not in this build of NWChem', 0, CAPMIS_ERR) @@ -175,13 +175,13 @@ Subroutine uccsdtest(RTDB) End Subroutine vscf_input(RTDB) include "errquit.fh" -* $Id: stubs_win32.F,v 1.7 2003-10-17 22:53:32 carlfahl Exp $ +* $Id$ Integer RTDB Call ErrQuit( $ 'vscf_input is not in this build of NWChem', 0, CAPMIS_ERR) Return End -* $Id: stubs_win32.F,v 1.7 2003-10-17 22:53:32 carlfahl Exp $ +* $Id$ Subroutine mcstep(RTDB) include "errquit.fh" Integer RTDB @@ -189,7 +189,7 @@ Subroutine mcstep(RTDB) $ 'mcstep is not in this build of NWChem', 0, CAPMIS_ERR) Return End -* $Id: stubs_win32.F,v 1.7 2003-10-17 22:53:32 carlfahl Exp $ +* $Id$ Subroutine mcstep_main(RTDB) include "errquit.fh" Integer RTDB diff --git a/src/symmetry/ChangeLog b/src/symmetry/ChangeLog index f462f3d485..6d28c99025 100644 --- a/src/symmetry/ChangeLog +++ b/src/symmetry/ChangeLog @@ -1,4 +1,4 @@ -$Id: ChangeLog,v 1.1 1998-09-29 16:50:25 d3e129 Exp $ +$Id$ files need to be changed for sphericals and symmetry: sym_bas_op.F diff --git a/src/symmetry/GNUmakefile b/src/symmetry/GNUmakefile index 5e41935809..bdd2e851a8 100644 --- a/src/symmetry/GNUmakefile +++ b/src/symmetry/GNUmakefile @@ -1,4 +1,4 @@ -#$Id: GNUmakefile,v 1.43 2008-04-02 16:55:27 d3p307 Exp $ +#$Id$ # makefile,v 1.4 1994/11/23 18:48:11 og845 Exp include ../config/makefile.h diff --git a/src/symmetry/cross_prod.F b/src/symmetry/cross_prod.F index 30af97f76f..00497b1198 100644 --- a/src/symmetry/cross_prod.F +++ b/src/symmetry/cross_prod.F @@ -1,5 +1,5 @@ subroutine cross_product(a,b,c) -C$Id: cross_prod.F,v 1.1 1995-12-13 01:28:02 d3g681 Exp $ +C$Id$ implicit none double precision a(3), b(3) ! [input] double precision c(3) ! [output] diff --git a/src/symmetry/dctr.f b/src/symmetry/dctr.f index 337f55cc71..e6179c950e 100644 --- a/src/symmetry/dctr.f +++ b/src/symmetry/dctr.f @@ -1,6 +1,6 @@ c*********************************************************************** * -* $Id: dctr.f,v 1.2 1999-07-27 21:06:57 d3e129 Exp $ +* $Id$ * c c dctr.f diff --git a/src/symmetry/deter3.F b/src/symmetry/deter3.F index a84064769b..dfa958d153 100644 --- a/src/symmetry/deter3.F +++ b/src/symmetry/deter3.F @@ -1,5 +1,5 @@ double precision function deter3(r) -C$Id: deter3.F,v 1.1 1995-10-10 06:17:35 d3g681 Exp $ +C$Id$ implicit none double precision r(3,3) c diff --git a/src/symmetry/dosymops.F b/src/symmetry/dosymops.F index b199845e58..f157e8eba2 100644 --- a/src/symmetry/dosymops.F +++ b/src/symmetry/dosymops.F @@ -25,7 +25,7 @@ subroutine dosymops(symops,nops,coords,tags,nata,itype, & tags_new,coords_new,nareal,nat,cdist,cang,iasym_order, $ charge, charge_new, mass, mass_new, $ invnucexp, invnucexp_new, threquiv) -C$Id: dosymops.F,v 1.7 2003-10-17 22:58:24 carlfahl Exp $ +C$Id$ *rak typed everyting implicit none #include "util.fh" diff --git a/src/symmetry/gensym.f b/src/symmetry/gensym.f index 8715cb5ffb..56d49f86a3 100644 --- a/src/symmetry/gensym.f +++ b/src/symmetry/gensym.f @@ -56,7 +56,7 @@ c*********************************************************************** subroutine gensym(itype,numgrp,numset,symops,nops,oprint, $ group_name) -C$Id: gensym.f,v 1.9 2000-10-23 23:37:50 windus Exp $ +C$Id$ implicit real*8 (a-h,o-z) parameter(maxops=192,tol=1.0d-07,max_gen=6) character*2 kpos(-1:3),kneg(-3:1),rotoop(maxops) diff --git a/src/symmetry/graveyard.F b/src/symmetry/graveyard.F index d60fd7042f..1a7d0792a9 100644 --- a/src/symmetry/graveyard.F +++ b/src/symmetry/graveyard.F @@ -1,5 +1,5 @@ subroutine sym_bas_munge_op(r, maxf, ang_max) -C$Id: graveyard.F,v 1.1 1995-10-10 06:17:36 d3g681 Exp $ +C$Id$ implicit none integer maxf, ang_max double precision r(maxf, maxf, 0:ang_max) diff --git a/src/symmetry/ludcmp.F b/src/symmetry/ludcmp.F index 0c527835bc..c1aa787cf8 100644 --- a/src/symmetry/ludcmp.F +++ b/src/symmetry/ludcmp.F @@ -1,6 +1,6 @@ subroutine ludcmp(a,n,np,indx,d) #include "errquit.fh" -C$Id: ludcmp.F,v 1.1 2003-10-17 22:38:35 carlfahl Exp $ +C$Id$ call errquit('ludcmp: this routine needs to be replaced',0, & UNKNOWN_ERR) c$$$ implicit none diff --git a/src/symmetry/mprint.f b/src/symmetry/mprint.f index 77afeadc22..328e9c67aa 100644 --- a/src/symmetry/mprint.f +++ b/src/symmetry/mprint.f @@ -1,5 +1,5 @@ subroutine mprint(rmat,idim,jdim) -C$Id: mprint.f,v 1.3 1995-12-15 12:13:03 d3g681 Exp $ +C$Id$ implicit none integer idim, jdim double precision rmat(idim,jdim) diff --git a/src/symmetry/opprint.f b/src/symmetry/opprint.f index 9d2846fb5d..c95095f0f1 100644 --- a/src/symmetry/opprint.f +++ b/src/symmetry/opprint.f @@ -1,5 +1,5 @@ subroutine opprint(symops,rotoop,maxops,nops,itype) -C$Id: opprint.f,v 1.4 1995-12-15 12:13:04 d3g681 Exp $ +C$Id$ implicit none integer maxops, nops, itype character*2 rotoop(maxops) diff --git a/src/symmetry/spgen.F b/src/symmetry/spgen.F index f9fd1c6507..bace445523 100644 --- a/src/symmetry/spgen.F +++ b/src/symmetry/spgen.F @@ -14,7 +14,7 @@ subroutine spgen(itype,numgrp,numset,symops,cntvec,numgen,numvec, $ group_name,max_gen,s_vec,oprint) c c--->Note: array "gens" in gensym.f = arrray "symops" in spgen.f -C$Id: spgen.F,v 1.5 2003-10-17 22:58:24 carlfahl Exp $ +C$Id$ implicit real*8 (a-h,o-z) #include "errquit.fh" character*10 spgnam(230),lyrnam(80),linenam(99),molname(46) diff --git a/src/symmetry/sym.fh b/src/symmetry/sym.fh index 25654dcb36..dbd100fb69 100644 --- a/src/symmetry/sym.fh +++ b/src/symmetry/sym.fh @@ -1,7 +1,7 @@ logical sym_shell, sym_shell_pair, sym_atom, sym_atom_pair logical sym_char_table, sym_abelian_group C logical sym_shell_quartet, sym_atom_quartet -C$Id: sym.fh,v 1.6 1997-03-23 23:07:16 d3g681 Exp $ +C$Id$ logical sym_atom_quartet integer sym_center_map, sym_number_ops external sym_shell, sym_atom diff --git a/src/symmetry/sym_abelian.F b/src/symmetry/sym_abelian.F index 1425e9fb28..c87d2ae6a1 100644 --- a/src/symmetry/sym_abelian.F +++ b/src/symmetry/sym_abelian.F @@ -1,6 +1,6 @@ logical function sym_abelian_group(geom) * -* $Id: sym_abelian.F,v 1.9 2008-09-26 12:07:36 jhammond Exp $ +* $Id$ * implicit none integer geom ! [input] diff --git a/src/symmetry/sym_ap_cart.F b/src/symmetry/sym_ap_cart.F index 5e4cb72a5b..6089227f16 100644 --- a/src/symmetry/sym_ap_cart.F +++ b/src/symmetry/sym_ap_cart.F @@ -1,5 +1,5 @@ subroutine sym_apply_cart_op(geom, opnum, r, r1) -C$Id: sym_ap_cart.F,v 1.2 1999-07-14 00:29:10 d3e129 Exp $ +C$Id$ implicit none c #include "mafdecls.fh" diff --git a/src/symmetry/sym_apply_op.F b/src/symmetry/sym_apply_op.F index 578ca2f349..f9c474a4d5 100644 --- a/src/symmetry/sym_apply_op.F +++ b/src/symmetry/sym_apply_op.F @@ -1,5 +1,5 @@ subroutine sym_apply_op(geom, opnum, r, r1) -C$Id: sym_apply_op.F,v 1.8 1999-07-14 00:29:10 d3e129 Exp $ +C$Id$ implicit none c #include "mafdecls.fh" diff --git a/src/symmetry/sym_bas_op.F b/src/symmetry/sym_bas_op.F index e16886c6fb..c811761458 100644 --- a/src/symmetry/sym_bas_op.F +++ b/src/symmetry/sym_bas_op.F @@ -1,6 +1,6 @@ subroutine sym_bas_op(geom, op, r, maxf, ang_max, & otransform) -C$Id: sym_bas_op.F,v 1.8 2003-10-17 22:58:24 carlfahl Exp $ +C$Id$ implicit none #include "errquit.fh" #include "geom.fh" diff --git a/src/symmetry/sym_bs_irrep.F b/src/symmetry/sym_bs_irrep.F index 44d09958f5..c89c695fae 100644 --- a/src/symmetry/sym_bs_irrep.F +++ b/src/symmetry/sym_bs_irrep.F @@ -1,5 +1,5 @@ subroutine sym_bas_irreps(basis, oprint, nbf_per_ir) -C$Id: sym_bs_irrep.F,v 1.4 2003-10-17 22:58:24 carlfahl Exp $ +C$Id$ implicit none #include "errquit.fh" #include "bas.fh" diff --git a/src/symmetry/sym_cent_map.F b/src/symmetry/sym_cent_map.F index d3967d0216..ee4f555d85 100644 --- a/src/symmetry/sym_cent_map.F +++ b/src/symmetry/sym_cent_map.F @@ -1,5 +1,5 @@ integer function sym_center_map(geom,cent,opnum) -C$Id: sym_cent_map.F,v 1.3 2003-10-17 22:58:24 carlfahl Exp $ +C$Id$ implicit none #include "errquit.fh" c diff --git a/src/symmetry/sym_char_tab.F b/src/symmetry/sym_char_tab.F index 79302a3197..1313c11e18 100644 --- a/src/symmetry/sym_char_tab.F +++ b/src/symmetry/sym_char_tab.F @@ -2,7 +2,7 @@ logical function sym_char_table(zname, nop, nir, iclass_dim, + zir, zclass, chars) c -C$Id: sym_char_tab.F,v 1.7 2003-10-17 22:58:24 carlfahl Exp $ +C$Id$ implicit double precision (a-h,p-w),integer (i-n),logical (o) implicit character *8 (z),character *1 (x) implicit character *4 (y) diff --git a/src/symmetry/sym_g_sym.F b/src/symmetry/sym_g_sym.F index ebe342c9f6..a02043f5db 100644 --- a/src/symmetry/sym_g_sym.F +++ b/src/symmetry/sym_g_sym.F @@ -1,5 +1,5 @@ subroutine sym_grad_symmetrize(geom, grad) -C $Id: sym_g_sym.F,v 1.5 2003-10-17 22:58:25 carlfahl Exp $ +C $Id$ implicit none #include "errquit.fh" #include "sym.fh" @@ -55,7 +55,7 @@ subroutine sym_grad_symmetrize(geom, grad) c end subroutine sym_hess_symmetrize(geom, h) -C $Id: sym_g_sym.F,v 1.5 2003-10-17 22:58:25 carlfahl Exp $ +C $Id$ implicit none #include "errquit.fh" #include "sym.fh" @@ -116,7 +116,7 @@ subroutine sym_hess_symmetrize(geom, h) c end subroutine sym_der_dip_symmetrize(geom, d) -C $Id: sym_g_sym.F,v 1.5 2003-10-17 22:58:25 carlfahl Exp $ +C $Id$ implicit none #include "errquit.fh" #include "sym.fh" diff --git a/src/symmetry/sym_geom_prj.F b/src/symmetry/sym_geom_prj.F index 54261a34a3..6736a2a754 100644 --- a/src/symmetry/sym_geom_prj.F +++ b/src/symmetry/sym_geom_prj.F @@ -1,5 +1,5 @@ subroutine sym_geom_project(geom, tol) -C $Id: sym_geom_prj.F,v 1.5 2003-10-17 22:58:25 carlfahl Exp $ +C $Id$ implicit none #include "errquit.fh" #include "nwc_const.fh" diff --git a/src/symmetry/sym_get_cart.F b/src/symmetry/sym_get_cart.F index af935f0c36..8a8f0fa754 100644 --- a/src/symmetry/sym_get_cart.F +++ b/src/symmetry/sym_get_cart.F @@ -1,5 +1,5 @@ subroutine sym_get_cart_op(geom, opnum, matrix) -C$Id: sym_get_cart.F,v 1.2 1999-07-14 00:29:11 d3e129 Exp $ +C$Id$ implicit none c #include "mafdecls.fh" diff --git a/src/symmetry/sym_grp_name.F b/src/symmetry/sym_grp_name.F index 032c16f84d..ccaadd6f9e 100644 --- a/src/symmetry/sym_grp_name.F +++ b/src/symmetry/sym_grp_name.F @@ -1,5 +1,5 @@ subroutine sym_group_name(geom, name) -C$Id: sym_grp_name.F,v 1.3 2003-10-17 22:58:25 carlfahl Exp $ +C$Id$ implicit none #include "errquit.fh" #include "nwc_const.fh" diff --git a/src/symmetry/sym_inv_op.F b/src/symmetry/sym_inv_op.F index 677884dbb4..f19b6b27dc 100644 --- a/src/symmetry/sym_inv_op.F +++ b/src/symmetry/sym_inv_op.F @@ -20,7 +20,7 @@ subroutine sym_init_inv_op(geom) c end subroutine sym_find_inv_op(geom, op, opinv) -C$Id: sym_inv_op.F,v 1.5 2003-10-17 22:58:25 carlfahl Exp $ +C$Id$ implicit none #include "errquit.fh" #include "sym.fh" diff --git a/src/symmetry/sym_irrepname.F b/src/symmetry/sym_irrepname.F index ead21013ca..078e5a8d54 100644 --- a/src/symmetry/sym_irrepname.F +++ b/src/symmetry/sym_irrepname.F @@ -1,6 +1,6 @@ subroutine sym_irrepname(geom,irrep,name) c -c $Id: sym_irrepname.F,v 1.2 2003-10-27 23:18:59 marat Exp $ +c $Id$ c c Returns the name of irrep. If irrep is zero, returns c '?' as the name. diff --git a/src/symmetry/sym_map.F b/src/symmetry/sym_map.F index ba73078718..af80cf8aa1 100644 --- a/src/symmetry/sym_map.F +++ b/src/symmetry/sym_map.F @@ -1,6 +1,6 @@ subroutine sym_map(itype, tags, symops, nops, nareal, map, xnew, & acord, oprint, ilbl, threquiv) -C$Id: sym_map.F,v 1.9 2003-10-17 22:58:25 carlfahl Exp $ +C$Id$ implicit none #include "errquit.fh" c diff --git a/src/symmetry/sym_mo_adapt.F b/src/symmetry/sym_mo_adapt.F index 6c154f290c..f0535cd4b6 100644 --- a/src/symmetry/sym_mo_adapt.F +++ b/src/symmetry/sym_mo_adapt.F @@ -1,5 +1,5 @@ subroutine sym_movecs_adapt(basis, thresh, g_vecs, irs, nmixed) -C$Id: sym_mo_adapt.F,v 1.17 2003-10-17 22:58:25 carlfahl Exp $ +C$Id$ implicit none #include "errquit.fh" #include "bas.fh" diff --git a/src/symmetry/sym_mo_ap_op.F b/src/symmetry/sym_mo_ap_op.F index a52ef5c7ed..67f2280da2 100644 --- a/src/symmetry/sym_mo_ap_op.F +++ b/src/symmetry/sym_mo_ap_op.F @@ -1,5 +1,5 @@ subroutine sym_movecs_apply_op(basis, op, v, t) -C$Id: sym_mo_ap_op.F,v 1.3 2003-10-17 22:58:25 carlfahl Exp $ +C$Id$ implicit none #include "errquit.fh" #include "geom.fh" diff --git a/src/symmetry/sym_num_ops.F b/src/symmetry/sym_num_ops.F index 9f82b77410..9cd640ee63 100644 --- a/src/symmetry/sym_num_ops.F +++ b/src/symmetry/sym_num_ops.F @@ -1,5 +1,5 @@ integer function sym_number_ops(geom) -C$Id: sym_num_ops.F,v 1.2 1999-07-14 00:29:11 d3e129 Exp $ +C$Id$ implicit none #include "nwc_const.fh" #include "geomP.fh" diff --git a/src/symmetry/sym_nwc.F b/src/symmetry/sym_nwc.F index 6b497d20e8..4a8a548154 100644 --- a/src/symmetry/sym_nwc.F +++ b/src/symmetry/sym_nwc.F @@ -22,7 +22,7 @@ c c*********************************************************************** subroutine sym_nwc(geom,rtdb,nata,oprint,scale,threquiv,nops) -C$Id: sym_nwc.F,v 1.21 2006-06-06 01:30:41 edo Exp $ +C$Id$ implicit real*8 (a-h,o-z) #include "errquit.fh" parameter(maxops=192) diff --git a/src/symmetry/sym_op_clsfy.F b/src/symmetry/sym_op_clsfy.F index 9bd5415b98..0f76a8b703 100644 --- a/src/symmetry/sym_op_clsfy.F +++ b/src/symmetry/sym_op_clsfy.F @@ -1,5 +1,5 @@ subroutine sym_op_classify(geom, op_class_index) -C$Id: sym_op_clsfy.F,v 1.4 2003-10-17 22:58:25 carlfahl Exp $ +C$Id$ implicit none #include "errquit.fh" #include "sym.fh" diff --git a/src/symmetry/sym_op_cname.F b/src/symmetry/sym_op_cname.F index 1b8bb0304d..e455ceca7d 100644 --- a/src/symmetry/sym_op_cname.F +++ b/src/symmetry/sym_op_cname.F @@ -1,6 +1,6 @@ subroutine sym_op_class_name(op_type, order, power, direction, $ group_name, class) -C$Id: sym_op_cname.F,v 1.5 2000-11-05 19:23:14 d3g681 Exp $ +C$Id$ implicit none #include "inp.fh" c diff --git a/src/symmetry/sym_op_mtab.F b/src/symmetry/sym_op_mtab.F index 06534141ff..d16d07460d 100644 --- a/src/symmetry/sym_op_mtab.F +++ b/src/symmetry/sym_op_mtab.F @@ -1,5 +1,5 @@ subroutine sym_op_mult_table(geom, table, ld) -C$Id: sym_op_mtab.F,v 1.1 1995-12-13 01:28:33 d3g681 Exp $ +C$Id$ implicit none #include "sym.fh" #include "inp.fh" diff --git a/src/symmetry/sym_op_type.F b/src/symmetry/sym_op_type.F index 94bc0ec926..2e78347e14 100644 --- a/src/symmetry/sym_op_type.F +++ b/src/symmetry/sym_op_type.F @@ -1,5 +1,5 @@ subroutine sym_op_type(r, op_type, order, power, direction) -C$Id: sym_op_type.F,v 1.5 2003-10-17 22:58:25 carlfahl Exp $ +C$Id$ implicit none #include "errquit.fh" double precision r(3,3) diff --git a/src/symmetry/sym_ops_get.F b/src/symmetry/sym_ops_get.F index 360ba53078..94343ef38e 100644 --- a/src/symmetry/sym_ops_get.F +++ b/src/symmetry/sym_ops_get.F @@ -1,5 +1,5 @@ subroutine sym_ops_get(geom,numops,symops) -C$Id: sym_ops_get.F,v 1.5 1999-07-14 00:29:11 d3e129 Exp $ +C$Id$ implicit none c #include "mafdecls.fh" diff --git a/src/symmetry/sym_pr_all.F b/src/symmetry/sym_pr_all.F index c16e1f2852..0fa2a6b42c 100644 --- a/src/symmetry/sym_pr_all.F +++ b/src/symmetry/sym_pr_all.F @@ -1,5 +1,5 @@ subroutine sym_print_all(geom, oinfo, ouniq, omap, oops, ochar) -C$Id: sym_pr_all.F,v 1.3 1999-07-14 00:29:12 d3e129 Exp $ +C$Id$ implicit none #include "nwc_const.fh" #include "geomP.fh" diff --git a/src/symmetry/sym_pr_ctab.F b/src/symmetry/sym_pr_ctab.F index fed0237d44..b70c4b6c18 100644 --- a/src/symmetry/sym_pr_ctab.F +++ b/src/symmetry/sym_pr_ctab.F @@ -1,5 +1,5 @@ subroutine sym_print_char_table(geom) -C$Id: sym_pr_ctab.F,v 1.2 2003-10-17 22:58:25 carlfahl Exp $ +C$Id$ implicit none #include "errquit.fh" #include "sym.fh" diff --git a/src/symmetry/sym_pr_ops.F b/src/symmetry/sym_pr_ops.F index 7697d6956f..579a80435b 100644 --- a/src/symmetry/sym_pr_ops.F +++ b/src/symmetry/sym_pr_ops.F @@ -1,5 +1,5 @@ subroutine sym_print_ops(geom) -C$Id: sym_pr_ops.F,v 1.2 2003-10-17 22:58:25 carlfahl Exp $ +C$Id$ implicit none #include "errquit.fh" #include "sym.fh" diff --git a/src/symmetry/sym_put_geom.F b/src/symmetry/sym_put_geom.F index 6cd9d8310b..30e7dcb9a1 100644 --- a/src/symmetry/sym_put_geom.F +++ b/src/symmetry/sym_put_geom.F @@ -1,7 +1,7 @@ subroutine sym_put_in_geom(geom, nat_uniq, nat_new, $ tags_new, uniq_cent, coords_new, l_map, k_map, nops, $ charge_new, mass_new, invnucexp_new) -C$Id: sym_put_geom.F,v 1.7 2003-10-17 22:58:25 carlfahl Exp $ +C$Id$ implicit none #include "errquit.fh" diff --git a/src/symmetry/sym_sh_pair.F b/src/symmetry/sym_sh_pair.F index ef5edd5a3d..ff48cbcc13 100644 --- a/src/symmetry/sym_sh_pair.F +++ b/src/symmetry/sym_sh_pair.F @@ -51,7 +51,7 @@ logical function sym_atom(geom, iat, q1) c end logical function sym_shell(basis, ishell, q1) -C$Id: sym_sh_pair.F,v 1.6 2003-10-17 22:58:25 carlfahl Exp $ +C$Id$ implicit none #include "errquit.fh" #include "bas.fh" @@ -84,7 +84,7 @@ logical function sym_shell(basis, ishell, q1) c end logical function sym_shell_pair(basis, ishell, jshell, q2) -C$Id: sym_sh_pair.F,v 1.6 2003-10-17 22:58:25 carlfahl Exp $ +C$Id$ implicit none #include "errquit.fh" #include "bas.fh" diff --git a/src/symmetry/sym_sym.F b/src/symmetry/sym_sym.F index 887e0d4c9f..4d7fc50e5f 100644 --- a/src/symmetry/sym_sym.F +++ b/src/symmetry/sym_sym.F @@ -1,5 +1,5 @@ subroutine sym_symmetrize(geom, basis, odensity, g_a) -C$Id: sym_sym.F,v 1.9 2004-09-07 06:11:52 windus Exp $ +C$Id$ implicit none #include "errquit.fh" #include "global.fh" diff --git a/src/symmetry/sym_tr_bs_op.F b/src/symmetry/sym_tr_bs_op.F index 50e31c5e30..28ee8c0906 100644 --- a/src/symmetry/sym_tr_bs_op.F +++ b/src/symmetry/sym_tr_bs_op.F @@ -1,6 +1,6 @@ double precision function sym_trace_bas_op(r, ang_max, maxf, $ n, itype) -C$Id: sym_tr_bs_op.F,v 1.1 1995-12-13 01:28:46 d3g681 Exp $ +C$Id$ implicit none c integer ang_max, maxf, itype, n diff --git a/src/symmetry/sym_vec_sym.F b/src/symmetry/sym_vec_sym.F index f4810cb63d..bb03559e4d 100644 --- a/src/symmetry/sym_vec_sym.F +++ b/src/symmetry/sym_vec_sym.F @@ -1,5 +1,5 @@ subroutine sym_vec_symmetrize(geom, basis, vec) -C$Id: sym_vec_sym.F,v 1.6 2003-10-28 19:51:26 edo Exp $ +C$Id$ implicit none #include "errquit.fh" #include "global.fh" diff --git a/src/symmetry/wrcell.F b/src/symmetry/wrcell.F index d86e517c43..724283d1e3 100644 --- a/src/symmetry/wrcell.F +++ b/src/symmetry/wrcell.F @@ -4,7 +4,7 @@ c c********************************************************************** subroutine wrcell(geom,cdist,cang,itype) -C$Id: wrcell.F,v 1.1 2003-10-17 22:37:08 carlfahl Exp $ +C$Id$ implicit double precision(a-h,o-z) #include "errquit.fh" integer geom diff --git a/src/task/GNUmakefile b/src/task/GNUmakefile index 283515cace..cd350ab888 100644 --- a/src/task/GNUmakefile +++ b/src/task/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.34 2008-05-13 00:19:20 jhammond Exp $ +# $Id$ # LIBRARY = libnwctask.a diff --git a/src/task/task.F b/src/task/task.F index 270354dec6..f4f3f2a582 100644 --- a/src/task/task.F +++ b/src/task/task.F @@ -1,6 +1,6 @@ subroutine task(rtdb) * -* $Id: task.F,v 1.96 2009/03/05 18:10:29 d3p975 Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/task/task_dntmc.F b/src/task/task_dntmc.F index 36e638f2ba..53412dc7fe 100644 --- a/src/task/task_dntmc.F +++ b/src/task/task_dntmc.F @@ -1,6 +1,6 @@ logical function task_dntmc(rtdb) * -* $Id: task_dntmc.F,v 1.1 2006-03-10 01:24:48 windus Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/task/task_dynamics.F b/src/task/task_dynamics.F index 8cd21d37eb..4b7d7e120d 100644 --- a/src/task/task_dynamics.F +++ b/src/task/task_dynamics.F @@ -1,6 +1,6 @@ logical function task_dynamics(rtdb) * -* $Id: task_dynamics.F,v 1.11 2008-07-18 00:34:29 jhammond Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/task/task_energy.F b/src/task/task_energy.F index d13b2179a8..a7f9499188 100644 --- a/src/task/task_energy.F +++ b/src/task/task_energy.F @@ -137,7 +137,7 @@ logical function task_energy(rtdb) end logical function task_energy_doit(rtdb,theory,energy) * -* $Id: task_energy.F,v 1.53 2009-02-04 01:17:17 niri Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/task/task_et.F b/src/task/task_et.F index 65de890f72..be441f5bf4 100644 --- a/src/task/task_et.F +++ b/src/task/task_et.F @@ -61,7 +61,7 @@ logical function task_et_doit(rtdb,Vba) c c This function actually calculates Vba * -* $Id: task_et.F,v 1.14 2004-12-18 00:56:10 bert Exp $ +* $Id$ c * #include "rtdb.fh" diff --git a/src/task/task_freq.F b/src/task/task_freq.F index ab76ee6045..5634888353 100644 --- a/src/task/task_freq.F +++ b/src/task/task_freq.F @@ -22,7 +22,7 @@ logical function task_freq(rtdb) c task:walltime c * -* $Id: task_freq.F,v 1.18 2003-10-17 22:58:26 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/task/task_gradient.F b/src/task/task_gradient.F index 96f86218af..a2a01987f3 100644 --- a/src/task/task_gradient.F +++ b/src/task/task_gradient.F @@ -1,6 +1,6 @@ logical function task_gradient(rtdb) * -* $Id: task_gradient.F,v 1.61 2009-02-04 01:17:18 niri Exp $ +* $Id$ * implicit none #include "errquit.fh" @@ -176,7 +176,7 @@ logical function task_gradient(rtdb) end logical function task_gradient_doit(rtdb,theory,energy,gradient) * -* $Id: task_gradient.F,v 1.61 2009-02-04 01:17:18 niri Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/task/task_hessian.F b/src/task/task_hessian.F index 0541ff0d12..a9d51d04df 100644 --- a/src/task/task_hessian.F +++ b/src/task/task_hessian.F @@ -1,6 +1,6 @@ logical function task_hessian(rtdb) * -* $Id: task_hessian.F,v 1.26 2008-09-29 20:28:16 edo Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/task/task_input.F b/src/task/task_input.F index 133bc0b936..ba69a80a85 100644 --- a/src/task/task_input.F +++ b/src/task/task_input.F @@ -1,6 +1,6 @@ subroutine task_input(rtdb) * -* $Id: task_input.F,v 1.57 2009/02/04 06:23:53 niri Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/task/task_num_grad.F b/src/task/task_num_grad.F index 135bd36ceb..a48c37d1fb 100644 --- a/src/task/task_num_grad.F +++ b/src/task/task_num_grad.F @@ -5,7 +5,7 @@ logical function task_num_grad(rtdb) #include "mafdecls.fh" integer rtdb * -* $Id: task_num_grad.F,v 1.40 2008-03-03 20:09:05 niri Exp $ +* $Id$ * #include "inp.fh" logical analytic diff --git a/src/task/task_optimize.F b/src/task/task_optimize.F index 62a790476c..734fdcb821 100644 --- a/src/task/task_optimize.F +++ b/src/task/task_optimize.F @@ -1,5 +1,5 @@ logical function task_optimize(rtdb) -c $Id: task_optimize.F,v 1.31 2009/02/03 22:50:20 niri Exp $ +c $Id$ implicit none #include "errquit.fh" #include "mafdecls.fh" @@ -190,7 +190,7 @@ logical function task_optimize(rtdb) end c logical function task_saddle(rtdb) -c $Id: task_optimize.F,v 1.31 2009/02/03 22:50:20 niri Exp $ +c $Id$ implicit none #include "errquit.fh" #include "mafdecls.fh" @@ -349,7 +349,7 @@ logical function task_saddle(rtdb) end c logical function task_lst(rtdb) -c $Id: task_optimize.F,v 1.31 2009/02/03 22:50:20 niri Exp $ +c $Id$ implicit none #include "errquit.fh" #include "mafdecls.fh" diff --git a/src/task/task_rfcf.F b/src/task/task_rfcf.F index 859298416d..3cb7a7e186 100644 --- a/src/task/task_rfcf.F +++ b/src/task/task_rfcf.F @@ -1,6 +1,6 @@ logical function task_rfcf(rtdb) * -* $Id: task_rfcf.F 2009/05/20 bojana Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/task/task_save_state.F b/src/task/task_save_state.F index 5b12111b0a..71810026b7 100644 --- a/src/task/task_save_state.F +++ b/src/task/task_save_state.F @@ -1,6 +1,6 @@ logical function task_save_state(rtdb,suffix) * -* $Id: task_save_state.F,v 1.10 2003-10-17 22:58:26 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/task/task_thermo.F b/src/task/task_thermo.F index f27d7aafa5..b661a2814c 100644 --- a/src/task/task_thermo.F +++ b/src/task/task_thermo.F @@ -1,6 +1,6 @@ logical function task_thermo(rtdb) * -* $Id: task_thermo.F,v 1.5 2003-10-17 22:58:26 carlfahl Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/task/task_vscf.F b/src/task/task_vscf.F index 08da844c49..fa86fab68f 100644 --- a/src/task/task_vscf.F +++ b/src/task/task_vscf.F @@ -1,5 +1,5 @@ * -* $Id: task_vscf.F,v 1.5 2006-02-14 00:14:49 bert Exp $ +* $Id$ * logical function task_vscf(rtdb) c diff --git a/src/transport/GNUmakefile b/src/transport/GNUmakefile index d4d329323d..c165368e7b 100644 --- a/src/transport/GNUmakefile +++ b/src/transport/GNUmakefile @@ -1,4 +1,4 @@ -#$Id: GNUmakefile,v 1.2 2006-12-05 13:50:33 edo Exp $ +#$Id$ # OBJ_OPTIMIZE = transport.o OBJ_OPTIMIZE = transp_input.o diff --git a/src/transport/transp_input.F b/src/transport/transp_input.F index 037fab3333..cec0747d2d 100644 --- a/src/transport/transp_input.F +++ b/src/transport/transp_input.F @@ -1,6 +1,6 @@ subroutine transp_input(rtdb) * -* $Id: transp_input.F,v 1.3 2006-12-05 13:55:50 edo Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/src/transport/transport.fh b/src/transport/transport.fh index 2d342e6bd7..7157aff352 100644 --- a/src/transport/transport.fh +++ b/src/transport/transport.fh @@ -1,5 +1,5 @@ * -* $Id: transport.fh,v 1.1 2006-12-05 13:51:18 edo Exp $ +* $Id$ * #include "nwc_const.fh" integer maxpls diff --git a/src/vib/GNUmakefile b/src/vib/GNUmakefile index 348c631d52..2d8126409a 100644 --- a/src/vib/GNUmakefile +++ b/src/vib/GNUmakefile @@ -1,4 +1,4 @@ -# $Id: GNUmakefile,v 1.16 2005-07-26 23:51:56 edo Exp $ +# $Id$ HEADERS = OBJ_OPTIMIZE = vib_callg.o OBJ = vib_bcalc.o \ diff --git a/src/vib/vib_bcalc.F b/src/vib/vib_bcalc.F index 59b7791702..b4e4beee4a 100644 --- a/src/vib/vib_bcalc.F +++ b/src/vib/vib_bcalc.F @@ -1,7 +1,7 @@ SUBROUTINE vib_BCALC(IZMAT,BMTRX,HINT,ZMAT,SCR, & HESSIAN,EIGVEC,EIGVAL) C*MODULE VIB *DECK BCALC -* $Id: vib_bcalc.F,v 1.6 2005-07-26 23:51:56 edo Exp $ +* $Id$ C IMPLICIT none #include "nwc_const.fh" diff --git a/src/vib/vib_bdiha5.F b/src/vib/vib_bdiha5.F index 1c93524f44..f0b964bba3 100644 --- a/src/vib/vib_bdiha5.F +++ b/src/vib/vib_bdiha5.F @@ -1,5 +1,5 @@ SUBROUTINE vib_BDIHA5(NOINT,NDIM,IZMAT,CARTC,DIHANG,BMAT) -* $Id: vib_bdiha5.F,v 1.3 1995-10-21 09:15:55 d3e129 Exp $ +* $Id$ C*MODULE VIB *DECK BDIHA5 C* 21 MAR 1983 - STE * 9 MAR 1983 - STE C******************************************************************** diff --git a/src/vib/vib_bend.F b/src/vib/vib_bend.F index 0d5f674b5a..c081753ebb 100644 --- a/src/vib/vib_bend.F +++ b/src/vib/vib_bend.F @@ -1,5 +1,5 @@ SUBROUTINE vib_BEND(EQVAL,NOINT,I,J,K,C,B,NDIM) -* $Id: vib_bend.F,v 1.3 2003-10-17 22:58:37 carlfahl Exp $ +* $Id$ C*MODULE VIB *DECK BEND C IMPLICIT NONE diff --git a/src/vib/vib_bstr.F b/src/vib/vib_bstr.F index 56f64c24a4..02caeca466 100644 --- a/src/vib/vib_bstr.F +++ b/src/vib/vib_bstr.F @@ -1,6 +1,6 @@ SUBROUTINE vib_BSTR(EQVAL,NOINT,I,J,C,B,NDIM) C*MODULE VIB *DECK BSTR -* $Id: vib_bstr.F,v 1.3 1995-10-21 09:15:58 d3e129 Exp $ +* $Id$ C IMPLICIT NONE ! DOUBLE PRECISION (A-H,O-Z) C diff --git a/src/vib/vib_callg.F b/src/vib/vib_callg.F index 3077ed0236..ac114b045c 100644 --- a/src/vib/vib_callg.F +++ b/src/vib/vib_callg.F @@ -1,6 +1,6 @@ SUBROUTINE vib_CALLG(G,IGDIM,SCR,fv1,fv2, & ROOT,ALPH,LVAL,NROOTS) -* $Id: vib_callg.F,v 1.5 2003-10-17 22:58:37 carlfahl Exp $ +* $Id$ C C Routine to set up actual spaces for call to GIVENS C diff --git a/src/vib/vib_cebdab.F b/src/vib/vib_cebdab.F index 87aa7c53bc..d5803bfcc2 100644 --- a/src/vib/vib_cebdab.F +++ b/src/vib/vib_cebdab.F @@ -1,6 +1,6 @@ SUBROUTINE vib_CEBDAB(C,NC,A,NA,B) C* MODULE ZMATRX *DECK CEBDAB -* $Id: vib_cebdab.F,v 1.2 1995-10-21 09:16:03 d3e129 Exp $ +* $Id$ C C + C C = B A B diff --git a/src/vib/vib_chkhess.F b/src/vib/vib_chkhess.F index a01b72b83c..7f8ce1bf02 100644 --- a/src/vib/vib_chkhess.F +++ b/src/vib/vib_chkhess.F @@ -1,5 +1,5 @@ SUBROUTINE vib_CHKHESS(HESS,NAT3,first_pass) -* $Id: vib_chkhess.F,v 1.4 1999-07-08 19:11:02 d3e129 Exp $ +* $Id$ C C This routine checks to make sure the analytic Hessian is symmetric C diff --git a/src/vib/vib_clean.F b/src/vib/vib_clean.F index aa22eafcba..aac93a6b77 100644 --- a/src/vib/vib_clean.F +++ b/src/vib/vib_clean.F @@ -1,5 +1,5 @@ SUBROUTINE vib_CLEAN(A,LEN,THR) -* $Id: vib_clean.F,v 1.2 1995-10-21 09:16:05 d3e129 Exp $ +* $Id$ C C This routine "cleans" or rids a vecter of the elements smaller than C the supplied threshold diff --git a/src/vib/vib_cross.F b/src/vib/vib_cross.F index 03573a0633..4859fbe5eb 100644 --- a/src/vib/vib_cross.F +++ b/src/vib/vib_cross.F @@ -1,5 +1,5 @@ SUBROUTINE vib_CROSS(V1,V2,V3) -* $Id: vib_cross.F,v 1.3 1995-10-21 09:16:06 d3e129 Exp $ +* $Id$ C**** C**** form cross product v1 x v2 C**** diff --git a/src/vib/vib_dsquar.F b/src/vib/vib_dsquar.F index 42a64806e6..60f71b1bed 100644 --- a/src/vib/vib_dsquar.F +++ b/src/vib/vib_dsquar.F @@ -1,5 +1,5 @@ SUBROUTINE vib_DSQUAR(A,S,N,MS) -* $Id: vib_dsquar.F,v 1.1 1995-07-29 23:19:27 d3e129 Exp $ +* $Id$ C C EXPANSION OF LOWER TRIANGULAR PACKED ARRAY TO FULL SQUARE C INPUT: diff --git a/src/vib/vib_dtrngl.F b/src/vib/vib_dtrngl.F index 6571687170..e23ae63a9c 100644 --- a/src/vib/vib_dtrngl.F +++ b/src/vib/vib_dtrngl.F @@ -1,5 +1,5 @@ SUBROUTINE vib_DTRNGL(S,A,N,MS) -* $Id: vib_dtrngl.F,v 1.1 1995-07-29 23:19:28 d3e129 Exp $ +* $Id$ C C COMPRESSION OF SQUARE MATRIX TO LOWER TRIANGULAR PACKING C INPUT: diff --git a/src/vib/vib_eckart.F b/src/vib/vib_eckart.F index c8a93abe91..cf74c5d570 100644 --- a/src/vib/vib_eckart.F +++ b/src/vib/vib_eckart.F @@ -1,6 +1,6 @@ SUBROUTINE vib_eckart( HESS, HESSP, HESST, COORD, VC , , w1,w2) -* $Id: vib_eckart.F,v 1.7 2002-03-26 07:01:13 edo Exp $ +* $Id$ IMPLICIT none ! REAL*8 (A-H,O-Z) c #include "util.fh" diff --git a/src/vib/vib_gtors.F b/src/vib/vib_gtors.F index 299cb95fa6..5360ef40b1 100644 --- a/src/vib/vib_gtors.F +++ b/src/vib/vib_gtors.F @@ -1,6 +1,6 @@ SUBROUTINE vib_GTORS(EQVAL,NOINT,I1,I2,J,K,L1,L2,C,B,NDIM) C*MODULE VIB *DECK GTORS -* $Id: vib_gtors.F,v 1.3 2003-10-17 22:58:37 carlfahl Exp $ +* $Id$ IMPLICIT NONE ! DOUBLE PRECISION (A-H,O-Z) #include "errquit.fh" C diff --git a/src/vib/vib_hmass.F b/src/vib/vib_hmass.F index 7e9150d9b6..2d8b8b73d0 100644 --- a/src/vib/vib_hmass.F +++ b/src/vib/vib_hmass.F @@ -1,5 +1,5 @@ SUBROUTINE vib_HMASS(HESST,ATMASS,first_pass) -* $Id: vib_hmass.F,v 1.5 2003-03-14 01:56:09 edo Exp $ +* $Id$ C C This routine mass weights and scales the Hessian matrix C The scaling is done to avoid numerical problems in the diff --git a/src/vib/vib_input.F b/src/vib/vib_input.F index 59e124bfc1..692af456cd 100644 --- a/src/vib/vib_input.F +++ b/src/vib/vib_input.F @@ -2,7 +2,7 @@ subroutine freq_vib_input(rtdb) implicit none #include "errquit.fh" * -* $Id: vib_input.F,v 1.4 2005-08-16 23:34:05 windus Exp $ +* $Id$ * c c {freq||vib} diff --git a/src/vib/vib_intense.F b/src/vib/vib_intense.F index 944233428f..25cc15d005 100644 --- a/src/vib/vib_intense.F +++ b/src/vib/vib_intense.F @@ -1,4 +1,4 @@ -* $Id: vib_intense.F,v 1.7 2003-10-17 22:58:37 carlfahl Exp $ +* $Id$ subroutine vib_intense(rtdb,eigvec,eigval,nat,ddpolx,ddpolq, & intensity,first_pass) implicit none diff --git a/src/vib/vib_istep.F b/src/vib/vib_istep.F index c4983832c6..5ac65fe5f0 100644 --- a/src/vib/vib_istep.F +++ b/src/vib/vib_istep.F @@ -2,7 +2,7 @@ subroutine vib_istep(rtdb,nat3,natom, & eigenvecs,eigenvals,coords, & steps,stepsave,master) * -* $Id: vib_istep.F,v 1.9 2005-06-03 23:54:51 marat Exp $ +* $Id$ * * routine to compute the direction vector, magnitudes, updated * geometries for all negative eigenvalues in the current spectrum. diff --git a/src/vib/vib_libe.F b/src/vib/vib_libe.F index b45fb10f39..b604ec478c 100644 --- a/src/vib/vib_libe.F +++ b/src/vib/vib_libe.F @@ -1,6 +1,6 @@ SUBROUTINE vib_LIBE(EQVAL,NOINT,NLIBE,I,J,K,C,B,NDIM) C*MODULE VIB *DECK LIBE -* $Id: vib_libe.F,v 1.4 2003-10-17 22:58:37 carlfahl Exp $ +* $Id$ C IMPLICIT NONE ! DOUBLE PRECISION (A-H,O-Z) #include "errquit.fh" diff --git a/src/vib/vib_nmass.F b/src/vib/vib_nmass.F index f72ff384c7..ea81a2d2b5 100644 --- a/src/vib/vib_nmass.F +++ b/src/vib/vib_nmass.F @@ -1,5 +1,5 @@ SUBROUTINE vib_NMASS(VECTOR,ATMASS) -* $Id: vib_nmass.F,v 1.4 1997-06-12 22:51:49 d3e129 Exp $ +* $Id$ C C This routine unmass weights the normal mode vectors. C diff --git a/src/vib/vib_prdata.F b/src/vib/vib_prdata.F index cbd3107ff8..d4f3ec3c8c 100644 --- a/src/vib/vib_prdata.F +++ b/src/vib/vib_prdata.F @@ -1,6 +1,6 @@ SUBROUTINE vib_PRDATA(rtdb,ARRAY,VECT,NR,NC,NRP,NCP,PVEC,NPRI & ,first_pass) -* $Id: vib_prdata.F,v 1.9 2003-10-17 22:58:37 carlfahl Exp $ +* $Id$ C*MODULE VIB *DECK PRDATA c IMPLICIT NONE diff --git a/src/vib/vib_prntpd.F b/src/vib/vib_prntpd.F index 9a3c2ea6db..9b56ffc3e9 100644 --- a/src/vib/vib_prntpd.F +++ b/src/vib/vib_prntpd.F @@ -1,5 +1,5 @@ SUBROUTINE vib_PRNTPD(A,NAD,M,IOUT2) -* $Id: vib_prntpd.F,v 1.2 1995-10-21 09:16:18 d3e129 Exp $ +* $Id$ IMPLICIT none ! REAL*8 (A-H,O-Z) C integer nad, m, iout2 diff --git a/src/vib/vib_rdinp.F b/src/vib/vib_rdinp.F index 299ced0a6d..84bdf65c58 100644 --- a/src/vib/vib_rdinp.F +++ b/src/vib/vib_rdinp.F @@ -2,7 +2,7 @@ SUBROUTINE vib_RDINP( & HESS,HESST,COORD,ATMASS,ZAN,OLDLBLAT,IZMAT,NELS, & PROJEC,ZEROPE,HESOUT,INTERN, & rtdb,first_pass) -* $Id: vib_rdinp.F,v 1.9 2003-10-17 22:58:37 carlfahl Exp $ +* $Id$ C C This routine reads the user input and the hessian matrix from C the appropriate place. The default is to use the "default" diff --git a/src/vib/vib_setup.F b/src/vib/vib_setup.F index cbc6a2c3e2..4c07ca2a8d 100644 --- a/src/vib/vib_setup.F +++ b/src/vib/vib_setup.F @@ -1,5 +1,5 @@ SUBROUTINE vib_setup -* $Id: vib_setup.F,v 1.2 1995-10-21 09:16:24 d3e129 Exp $ +* $Id$ IMPLICIT NONE! REAL*8 (A-H,O-Z) c double precision ams, wave diff --git a/src/vib/vib_thermo.F b/src/vib/vib_thermo.F index 5e5a5d8533..31926db341 100644 --- a/src/vib/vib_thermo.F +++ b/src/vib/vib_thermo.F @@ -3,7 +3,7 @@ subroutine vib_thermo(rtdb,nat,nat3, implicit none #include "errquit.fh" * -* $Id: vib_thermo.F,v 1.7 2003-10-17 22:58:37 carlfahl Exp $ +* $Id$ * * routine to compute the thermodynamic properties under the * rigid rotor harmonic approximation: diff --git a/src/vib/vib_tors.F b/src/vib/vib_tors.F index b23b350a43..cbacf329fc 100644 --- a/src/vib/vib_tors.F +++ b/src/vib/vib_tors.F @@ -1,6 +1,6 @@ SUBROUTINE vib_TORS(EQVAL,NOINT,I,J,K,L,C,B,NDIM) C*MODULE VIB *DECK TORS -* $Id: vib_tors.F,v 1.6 2003-10-17 22:58:37 carlfahl Exp $ +* $Id$ C IMPLICIT NONE ! DOUBLE PRECISION (A-H,O-Z) #include "errquit.fh" diff --git a/src/vib/vib_transp.F b/src/vib/vib_transp.F index 658424d92a..78ec8d324c 100644 --- a/src/vib/vib_transp.F +++ b/src/vib/vib_transp.F @@ -1,6 +1,6 @@ SUBROUTINE vib_TRANSP(A,NDIM,N) C*MODULE VIB *DECK TRANSP -* $Id: vib_transp.F,v 1.2 1995-10-21 09:16:28 d3e129 Exp $ +* $Id$ IMPLICIT NONE integer ndim, n double precision A(NDIM,NDIM) diff --git a/src/vib/vib_vib.F b/src/vib/vib_vib.F index a534ff77f9..266e3d25c8 100644 --- a/src/vib/vib_vib.F +++ b/src/vib/vib_vib.F @@ -1,6 +1,6 @@ subroutine vib_vib(rtdb,hess_file,in_file,hess_ma,in_ma, & hess_ga,in_ga,natomin) -* $Id: vib_vib.F,v 1.18 2003/10/17 22:58:38 carlfahl Exp $ +* $Id$ *:: utah messkit code adapted to nwchem by Ricky A. Kendall July 1995 *utah:C *utah:C This program was written to mass weight and diagonalize the force diff --git a/src/vib/vib_wmatrix.F b/src/vib/vib_wmatrix.F index f4568d2bcc..4178f29d44 100644 --- a/src/vib/vib_wmatrix.F +++ b/src/vib/vib_wmatrix.F @@ -1,5 +1,5 @@ subroutine vib_wmatrix(A,MR,MC,NR,NC) -* $Id: vib_wmatrix.F,v 1.2 1995-10-21 09:16:34 d3e129 Exp $ +* $Id$ C***************************************************************** C SUBROUTINE WMATRIX C***************************************************************** diff --git a/src/vib/vib_wrtfreq.F b/src/vib/vib_wrtfreq.F index 7b073f3c07..c5796c7269 100644 --- a/src/vib/vib_wrtfreq.F +++ b/src/vib/vib_wrtfreq.F @@ -1,5 +1,5 @@ SUBROUTINE vib_WRTFREQ(rtdb,EIGVAL,NAT3,ZEROPE,NPRI) -* $Id: vib_wrtfreq.F,v 1.18 2004-05-11 23:39:06 edo Exp $ +* $Id$ C C This routine scales the eigenvalues properly and then converts them C to wavenumbers diff --git a/src/vib/vib_zmatin.F b/src/vib/vib_zmatin.F index d6780b3424..485f39ff04 100644 --- a/src/vib/vib_zmatin.F +++ b/src/vib/vib_zmatin.F @@ -1,6 +1,6 @@ SUBROUTINE ZMATIN(IZMAT,NELS) C*MODULE VIB *DECK ZMATIN -* $Id: vib_zmatin.F,v 1.3 1999-07-14 00:29:13 d3e129 Exp $ +* $Id$ C IMPLICIT NONE #include "nwc_const.fh" diff --git a/src/vscf/GNUmakefile b/src/vscf/GNUmakefile index 8cc1c3d731..deeba5ac77 100644 --- a/src/vscf/GNUmakefile +++ b/src/vscf/GNUmakefile @@ -1,5 +1,5 @@ # -# $Id: GNUmakefile,v 1.1 2000-02-25 00:47:20 windus Exp $ +# $Id$ # LIBRARY = libvscf.a diff --git a/src/vscf/vscf.F b/src/vscf/vscf.F index f8698bbbc9..ec7a3c5462 100644 --- a/src/vscf/vscf.F +++ b/src/vscf/vscf.F @@ -1,4 +1,4 @@ -c $Id: vscf.F,v 1.15 2007-10-09 17:06:13 bert Exp $ +c $Id$ subroutine vscfm(NGRID,DMDR,NCOUP,VCFCT,IEXC, * rtdb,nat,vec,eigen) implicit double precision(a-h,o-z) diff --git a/src/vscf/vscf_input.F b/src/vscf/vscf_input.F index 7c6d02a07d..eb080abb68 100644 --- a/src/vscf/vscf_input.F +++ b/src/vscf/vscf_input.F @@ -1,6 +1,6 @@ subroutine vscf_input(rtdb) * -* $Id: vscf_input.F,v 1.4 2007-04-06 16:29:19 windus Exp $ +* $Id$ * implicit none #include "errquit.fh" diff --git a/web/citation.html b/web/citation.html index 3678dd1fa7..9fcc1447d4 100644 --- a/web/citation.html +++ b/web/citation.html @@ -1,7 +1,7 @@ - + diff --git a/web/disclaimer.html b/web/disclaimer.html index 9283b7bf3d..62cadc1540 100644 --- a/web/disclaimer.html +++ b/web/disclaimer.html @@ -1,7 +1,7 @@ - + diff --git a/web/download.html b/web/download.html index e2dbcaf604..5614a81f76 100644 --- a/web/download.html +++ b/web/download.html @@ -1,7 +1,7 @@ - + diff --git a/web/nwchem_main.html b/web/nwchem_main.html index 2b777c7b8d..2f95da7099 100644 --- a/web/nwchem_main.html +++ b/web/nwchem_main.html @@ -1,7 +1,7 @@ - + diff --git a/web/return_users.html b/web/return_users.html index cc6f521993..bb963707ed 100644 --- a/web/return_users.html +++ b/web/return_users.html @@ -1,7 +1,7 @@ - + diff --git a/web/support/gridbq.patch b/web/support/gridbq.patch index 3b27513f9a..d6d8c4b7ba 100644 --- a/web/support/gridbq.patch +++ b/web/support/gridbq.patch @@ -10,14 +10,14 @@ diff -c -r1.17 -r1.17.2.1 *** 1,6 **** subroutine grid_buckinit(rtdb) c -! c$Id: gridbq.patch,v 1.1 2006-01-12 18:48:40 edo Exp $ +! c$Id$ c implicit none c --- 1,6 ---- subroutine grid_buckinit(rtdb) c -! c$Id: gridbq.patch,v 1.1 2006-01-12 18:48:40 edo Exp $ +! c$Id$ c implicit none c @@ -93,7 +93,7 @@ diff -c -r1.7 -r1.7.2.1 & ibf, docset, iniz, ifin, zprim, ! . minexp,ldiff,acc_gauss) c -! C$Id: gridbq.patch,v 1.1 2006-01-12 18:48:40 edo Exp $ +! C$Id$ c implicit none c @@ -103,7 +103,7 @@ diff -c -r1.7 -r1.7.2.1 & ibf, docset, iniz, ifin, zprim, ! . minexp,ldiff,acc_gauss,iatype_pt_chg) c -! C$Id: gridbq.patch,v 1.1 2006-01-12 18:48:40 edo Exp $ +! C$Id$ c implicit none c @@ -132,7 +132,7 @@ diff -c -r1.7 -r1.7.2.1 Subroutine xc_make_basis_info(basis_hand, bas_cent_info, & bas_cset_info, mcenters) c -! C$Id: gridbq.patch,v 1.1 2006-01-12 18:48:40 edo Exp $ +! C$Id$ c implicit none c @@ -140,7 +140,7 @@ diff -c -r1.7 -r1.7.2.1 Subroutine xc_make_basis_info(basis_hand, bas_cent_info, & bas_cset_info, mcenters) c -! C$Id: gridbq.patch,v 1.1 2006-01-12 18:48:40 edo Exp $ +! C$Id$ c implicit none c @@ -157,7 +157,7 @@ diff -c -r1.17 -r1.17.2.1 , nmat, do_scf, do_cpks_l, do_cpks_r,tmat, , donewbf) c -! c$Id: gridbq.patch,v 1.1 2006-01-12 18:48:40 edo Exp $ +! c$Id$ c implicit none #include "cgridfile.fh" @@ -165,7 +165,7 @@ diff -c -r1.17 -r1.17.2.1 , nmat, do_scf, do_cpks_l, do_cpks_r,tmat, , donewbf) c -! c$Id: gridbq.patch,v 1.1 2006-01-12 18:48:40 edo Exp $ +! c$Id$ c implicit none #include "cgridfile.fh" @@ -198,14 +198,14 @@ diff -c -r1.14 -r1.14.2.1 *** 1,6 **** logical function grid_insidesp(fnxyz,l_rect,rad) c -! c$Id: gridbq.patch,v 1.1 2006-01-12 18:48:40 edo Exp $ +! c$Id$ c implicit none integer fnxyz ! [in] --- 1,6 ---- logical function grid_insidesp(fnxyz,l_rect,rad) c -! c$Id: gridbq.patch,v 1.1 2006-01-12 18:48:40 edo Exp $ +! c$Id$ c implicit none integer fnxyz ! [in] diff --git a/web/support/patches/4.6/geom_hnd.patch b/web/support/patches/4.6/geom_hnd.patch index 366f9834ea..9c9ff3e593 100644 --- a/web/support/patches/4.6/geom_hnd.patch +++ b/web/support/patches/4.6/geom_hnd.patch @@ -8,8 +8,8 @@ diff -u -r1.44 -r1.44.2.1 +++ nwchem-4.6/src/geom/geom_hnd.F 24 Sep 2004 17:47:08 -0000 1.44.2.1 @@ -1,5 +1,5 @@ * --* $Id: geom_hnd.patch,v 1.1 2006-01-12 18:51:44 edo Exp $ -+* $Id: geom_hnd.patch,v 1.1 2006-01-12 18:51:44 edo Exp $ +-* $Id$ ++* $Id$ * subroutine geom_bandbi(geom) implicit none diff --git a/web/support/patches/4.6/grid_signf.patch b/web/support/patches/4.6/grid_signf.patch index a1c20c7cbb..4e58bb3aa8 100644 --- a/web/support/patches/4.6/grid_signf.patch +++ b/web/support/patches/4.6/grid_signf.patch @@ -10,8 +10,8 @@ diff -u -r1.7 -r1.7.2.1 & zprim, iandex,iatype_pt_chg, & nq,xyzw) c --C$Id: grid_signf.patch,v 1.1 2006-01-12 18:51:44 edo Exp $ -+C$Id: grid_signf.patch,v 1.1 2006-01-12 18:51:44 edo Exp $ +-C$Id$ ++C$Id$ c implicit none #include "errquit.fh" diff --git a/web/support/patches/4.6/xc_pw91lda.patch b/web/support/patches/4.6/xc_pw91lda.patch index 3a5063a2bf..15d74b4e49 100644 --- a/web/support/patches/4.6/xc_pw91lda.patch +++ b/web/support/patches/4.6/xc_pw91lda.patch @@ -9,8 +9,8 @@ diff -u -r1.13 xc_pw91lda.F c form for the parameterized functionals of rs. The VWN V code is c reused. * --* $Id: xc_pw91lda.patch,v 1.1 2006-01-12 18:51:44 edo Exp $ -+* $Id: xc_pw91lda.patch,v 1.1 2006-01-12 18:51:44 edo Exp $ +-* $Id$ ++* $Id$ * #ifndef SECOND_DERIV Subroutine xc_pw91lda(tol_rho, fac, lfac, nlfac, rho, Amat, nq,