Need more decimals for big molecules (ANEPPS).

nwchemgit · Mar 16, 2009 · 231ebdf · 231ebdf
1 parent 9f9bd77
commit 231ebdf
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Showing 2 changed files with 3 additions and 3 deletions.
diff --git a/src/tce/ccsd_qr_beta.F b/src/tce/ccsd_qr_beta.F
@@ -880,7 +880,7 @@ subroutine ccsd_qr_beta_eval(omega,d_b0,d_f1,d_v2,d_d1,
      4            'are surely wrong.',/)
  9440 format(1x,A3,' axis ( ',A4,'symmetry)')
  9502 format(1x,'-----------------------------------------------')
- 9503 format(1x,'beta(',a1,',',a1,',',a1,') = ',f13.7,a)
+ 9503 format(1x,'beta(',a1,',',a1,',',a1,') = ',f18.9,a)
  9504 format(1x,'Static Hyperpolarizability')
  9505 format(1x,'Second Harmonic Generation (SHG)')
  9506 format(1x,'Optical Rectification (OR)')

diff --git a/src/tce/tce_energy.F b/src/tce/tce_energy.F
@@ -1,6 +1,6 @@
       logical function tce_energy(rtdb,excitedfragment)
 c
-c $Id: tce_energy.F,v 1.163 2009-03-05 23:49:21 d3p975 Exp $
+c $Id: tce_energy.F,v 1.164 2009-03-16 03:49:57 jhammond Exp $
 c 
       implicit none
 #include "mafdecls.fh"
@@ -8856,7 +8856,7 @@ logical function tce_energy(rtdb,excitedfragment)
  9501 format(/,1x,A,' hyperpolarizability / au ')
 c Use 9431 for frequency
  9502 format(1x,'-----------------------------------------------')
- 9503 format(1x,'beta(',a1,',',a1,',',a1,') = ',f13.7,a)
+ 9503 format(1x,'beta(',a1,',',a1,',',a1,') = ',f18.9,a)
  9504 format(1x,'Static Hyperpolarizability')
  9505 format(1x,'Second Harmonic Generation (SHG)')
  9506 format(1x,'Optical Rectification (OR)')