From cd848c7c84e79666f358fa147b9314fe0bbe8786 Mon Sep 17 00:00:00 2001 From: Edoardo Apra Date: Mon, 24 Apr 2000 21:44:31 +0000 Subject: [PATCH] fixed open shell bug --- src/nwdft/scf_dft/dft_fockbld.F | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/nwdft/scf_dft/dft_fockbld.F b/src/nwdft/scf_dft/dft_fockbld.F index e223c3ad93..a0a5ab4cb8 100644 --- a/src/nwdft/scf_dft/dft_fockbld.F +++ b/src/nwdft/scf_dft/dft_fockbld.F @@ -10,7 +10,7 @@ , g_rho_exact,g_tmp_exact, g_addit_exact, , oprint_time) c -c $Id: dft_fockbld.F,v 1.4 2000-04-24 19:56:16 edo Exp $ +c $Id: dft_fockbld.F,v 1.5 2000-04-24 21:44:31 edo Exp $ c implicit none #include "cdft.fh" @@ -134,7 +134,7 @@ c c c Restore alpha and beta densities. c - call ga_dadd(1d0, g_dens(1), 1d0, g_dens(2), g_dens(1)) + call ga_dadd(1d0, g_dens(1), -1d0, g_dens(2), g_dens(1)) c c Note that g_dens(1) now contains the alpha density c matrix and g_dens(2) contains the beta