From 28e8b5c2cc3b56d7f25659ff5ff6abe47c3d0464 Mon Sep 17 00:00:00 2001 From: pfloos Date: Mon, 2 Oct 2023 21:54:10 +0200 Subject: [PATCH] remove ROpCCD --- src/CC/CC.f90 | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/src/CC/CC.f90 b/src/CC/CC.f90 index 1f5a584..ddff7e5 100644 --- a/src/CC/CC.f90 +++ b/src/CC/CC.f90 @@ -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)