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quack
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remove ROpCCD

This commit is contained in:
Pierre-Francois Loos 2023-10-02 21:54:10 +02:00
parent 665f494dd5
commit 28e8b5c2cc
1 changed files with 1 additions and 2 deletions
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src/CC/CC.f90
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@ -158,8 +158,7 @@ subroutine CC(doCCD,dopCCD,doDCD,doCCSD,doCCSDT,dodrCCD,dorCCD,docrCCD,dolCCD, &
if(dopCCD) then
call wall_time(start_CC)
! call pCCD(maxSCF,thresh,max_diis,nBas,nC,nO,nV,nR,ERI,ENuc,EHF,epsHF)
call ROpCCD(maxSCF,thresh,max_diis,nBas,nC,nO,nV,nR,ERI,ENuc,EHF,epsHF)
call pCCD(maxSCF,thresh,max_diis,nBas,nC,nO,nV,nR,ERI,ENuc,EHF,epsHF)
call wall_time(end_CC)