mirror of
https://github.com/pfloos/quack
synced 2024-12-22 20:35:36 +01:00
remove ROpCCD
This commit is contained in:
parent
665f494dd5
commit
28e8b5c2cc
@ -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)
|
||||
|
||||
|
Loading…
Reference in New Issue
Block a user