diff --git a/src/MCQC/excitation_density_from_MO.f90 b/src/MCQC/excitation_density_from_MO.f90 index d1e0ace..ec5d854 100644 --- a/src/MCQC/excitation_density_from_MO.f90 +++ b/src/MCQC/excitation_density_from_MO.f90 @@ -25,7 +25,7 @@ subroutine excitation_density_from_MO(nBas,nC,nO,nR,nS,G,XpY,rho) do j=nC+1,nO do b=nO+1,nBas-nR jb = jb + 1 - rho(x,y,ia) = rho(x,y,ia) + G(x,y,j,b)*XpY(ia,jb) + rho(x,y,ia) = rho(x,y,ia) + G(x,j,y,b)*XpY(ia,jb) enddo enddo enddo