correction of CIPaverage.f

octavioroncero · Nov 9, 2022 · 8e36fa8 · 8e36fa8
1 parent d4fb1bb
commit 8e36fa8
Showing 1 changed file with 2 additions and 7 deletions.
diff --git a/SRC/AUXILIARy-CODES/CIPaverage-fast.f b/SRC/AUXILIARy-CODES/CIPaverage-fast.f
@@ -388,7 +388,6 @@ program CIPprogram
  open(ifilevib,file=name,status='new')
  enddo
 
- open(7,file='CIPomg.res',status='new')
  open(8,file='CIPtot.res',status='new')
  open(10,file='PJ.res',status='new')
  ifile=ifile0
@@ -408,7 +407,7 @@ program CIPprogram
  xkini2=2.d0*xmasa*(ener)/hbr/hbr
  CIPtot=0.d0
  ifile=ifile0
- do iomref0=-jref,jref
+ do iomref0=-1,1,2
  CIPomg(iomref0)=0.d0
  enddo
  do Jt=0,Jtotmax
@@ -421,7 +420,7 @@ program CIPprogram
  ifile=ifile+1
  do j=j00,j11
  S2mat(j)=0.d0
- do iomref0=-jref,jref
+ do iomref0=-1,1,2
  S2mat(j)=S2mat(j)+CIP(iedif,j,iv,ielec,iomref0)
  CIPv(iv,ielec)=CIPv(iv,ielec)
  & +CIP(iedif,j,iv,ielec,iomref0)
@@ -450,10 +449,6 @@ program CIPprogram
  enddo
 
  write(8,'(50(1x,e15.7))')enerdifeV,xkini2,CIPtot
- write(7,'(50(1x,e15.7))')enerdifeV,xkini2
- & ,(CIPomg(iomref0),iomref0=-jref,jref)
-
-
 
  enddo ! ienerdif