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reduce output for NAMD HAM https://github.com/nwchemgit/nwchem/issues/671

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edoapra 2022-10-20 16:13:57 -07:00
parent 113e0d9c2f
commit a78eaf24b2
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1 changed files with 6 additions and 1 deletions
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7
src/qmd/qmd_coup.F
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@ -207,10 +207,15 @@ c
double precision scr_ci1, scr_ci2
double precision scr_co
c
logical oprint_ham
character*30 pname
c
c preliminaries
pname='qmd_tddft_coup: '
c
c print
c
oprint_ham = util_print('ham', print_high).and.ga_nodeid().eq.0
c
inntsize=MA_sizeof(MT_INT,1,MT_BYTE)
nvir=(nmo-nocc)
@ -503,7 +508,7 @@ c
c
call ga_sync()
coup(:,:)=coup(:,:)/(2.d0*dt)
if (ga_nodeid().eq.0) then
if (oprint_ham) then
write(*,*) 'HAM'
do jstate=1,nstates
do istate=1,nstates