From cd9bf9aaba4fd706bf1707edd794e119eea52375 Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Wed, 13 Mar 2019 16:25:27 +0100 Subject: [PATCH] new files --- src/MCQC/AOtoMO_oooooo.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/MCQC/AOtoMO_oooooo.f90 b/src/MCQC/AOtoMO_oooooo.f90 index 10b9c0e..e8bba04 100644 --- a/src/MCQC/AOtoMO_oooooo.f90 +++ b/src/MCQC/AOtoMO_oooooo.f90 @@ -104,7 +104,7 @@ subroutine AOtoMO_oooooo(nBas,nO,cO,O,oooOooo) do l=1,nO do m=1,nO do n=1,nO - scr1(i,j,la,l,m,n) = scr1(i,j,la,l,m,n) + cO(si,l)*scr2(i,j,la,si,m,n) + scr1(i,j,la,l,m,n) = scr1(i,j,la,l,m,n) + scr2(i,j,la,si,m,n)*cO(si,l) enddo enddo enddo