From 072067c4fa88e0a249ebc3049452afecd6c72051 Mon Sep 17 00:00:00 2001 From: Kevin Gasperich Date: Mon, 16 Mar 2020 11:16:41 -0500 Subject: [PATCH] fixed bug? --- src/davidson/u0_h_u0.irp.f | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/davidson/u0_h_u0.irp.f b/src/davidson/u0_h_u0.irp.f index ac98c362..6142e828 100644 --- a/src/davidson/u0_h_u0.irp.f +++ b/src/davidson/u0_h_u0.irp.f @@ -755,7 +755,7 @@ subroutine u_0_H_u_0_complex(e_0,s_0,u_0,n,keys_tmp,Nint,N_st,sze) do istate = 1,N_st do j=1,n do i=1,n - v_0(i,istate) = v_0(i,istate) + h_matrix_all_dets(i,j) * u_0(j,istate) + v_0(i,istate) = v_0(i,istate) + h_matrix_all_dets_complex(i,j) * u_0(j,istate) s_vec(i,istate) = s_vec(i,istate) + S2_matrix_all_dets(i,j) * u_0(j,istate) enddo enddo