setting rpaqproc =0 in mod_colini

octavioroncero · Oct 18, 2022 · 2e8152b · 2e8152b
1 parent 427cd6b
commit 2e8152b
Showing 1 changed file with 2 additions and 1 deletion.
diff --git a/SRC/mod_colini_01y2.f b/SRC/mod_colini_01y2.f
@@ -121,7 +121,7 @@ subroutine colini_reacJacobi
  double precision :: xr2,xxx
  include "mpif.h"
 
-
+ rpaqproc(:)=0.d0
  write(6,*)' Initial wave packet in Reactants Jacobi coordinates'
 
 ! write(name,"('funini.id',i2.2)")idproc
@@ -181,6 +181,7 @@ subroutine colini_prodJacobi
  write(6,*)' tranforming initial wvp!!!'
  write(6,*)' iprod',iprod
 
+ rpaqproc(:)=0.d0
 ! allocating variables 
 
  allocate(ff(npun2,2),xx(npun2),pop(iommin:iommax)