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Pierre-Francois Loos 2019-03-13 16:25:27 +01:00
parent ca96c59429
commit cd9bf9aaba
1 changed files with 1 additions and 1 deletions
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src/MCQC/AOtoMO_oooooo.f90
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@ -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