Reflect changes in the development build

nwchemgit · Mar 12, 2009 · 9f9bd77 · 9f9bd77
1 parent 6edd262
commit 9f9bd77
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Showing 2 changed files with 5 additions and 5 deletions.
diff --git a/src/driver/oniom.F b/src/driver/oniom.F
@@ -1,6 +1,6 @@
       logical function oniom_energy(rtdb)
 *
-* $Id: oniom.F,v 1.12 2003-10-17 22:54:49 carlfahl Exp $
+* $Id: oniom.F,v 1.13 2009-03-12 20:42:05 niri Exp $
 *
       implicit none
       integer rtdb
@@ -384,7 +384,7 @@ logical function oniom(rtdb, task)
      $     ('oniom: getting ncent',0, GEOM_ERR)
       if (nat .ne. nattest) call errquit
      $     ('oniom: model does not have correct symmetry', 0, GEOM_ERR)
-      ignore = geom_zmtmak(geom,.false.)
+      ignore = geom_zmtmak(rtdb, geom, .false.)
       if (.not. geom_rtdb_store(rtdb, geom, 'oniom model'))
      $     call errquit('oniom: failed storing geometry',0, RTDB_ERR)
       if (ga_nodeid().eq.0 .and.
@@ -433,7 +433,7 @@ logical function oniom(rtdb, task)
          if (nat .ne. nattest) call errquit
      $        ('oniom: inter does not have correct symmetry', 0,
      &       GEOM_ERR)
-         ignore = geom_zmtmak(geom,.false.)
+         ignore = geom_zmtmak(rtdb, geom, .false.)
          if (.not. geom_rtdb_store(rtdb, geom, 'oniom inter'))
      $        call errquit('oniom: failed storing geometry',0, RTDB_ERR)
          if (ga_nodeid().eq.0 .and.

diff --git a/src/driver/opt_drv.F b/src/driver/opt_drv.F
@@ -1,6 +1,6 @@
       logical function driver(rtdb)
 *
-* $Id: opt_drv.F,v 1.117 2005-09-01 00:47:51 marat Exp $
+* $Id: opt_drv.F,v 1.118 2009-03-12 20:42:05 niri Exp $
 *
       implicit none
 #include "errquit.fh"
@@ -968,7 +968,7 @@ subroutine driver_initialize(rtdb, geom)
             if (source .eq. 'autoz') then
                if (oprint) write(6,777)
  777           format(/' Regenerating redundant internal coordinates'/)
-               if (.not. geom_zmtmak(geom,oprint))
+               if (.not. geom_zmtmak(rtdb, geom, oprint))
      $              call errquit('driver: regeneration of autoz failed',
      $              0, GEOM_ERR)
                if (oprint) write(6,*)