From 005aab859501f31153f99e2493e4fbf1705ab42e Mon Sep 17 00:00:00 2001 From: Bert de Jong Date: Wed, 4 May 2005 22:23:34 +0000 Subject: [PATCH] Added even more Ecce stuff. --- src/property/hnd_spinspin.F | 14 +++++++------- 1 file changed, 7 insertions(+), 7 deletions(-) diff --git a/src/property/hnd_spinspin.F b/src/property/hnd_spinspin.F index aecac2d401..a081d444a2 100644 --- a/src/property/hnd_spinspin.F +++ b/src/property/hnd_spinspin.F @@ -1,5 +1,5 @@ subroutine hnd_spinspin(rtdb,basis,geom) -c $Id: hnd_spinspin.F,v 1.9 2005-05-03 22:43:30 bert Exp $ +c $Id: hnd_spinspin.F,v 1.10 2005-05-04 22:23:34 bert Exp $ implicit none #include "errquit.fh" #include "global.fh" @@ -22,7 +22,7 @@ c integer l_occ, k_occ, l_eval, k_eval integer l_xyz, k_xyz, l_zan, k_zan, l_tr, k_tr integer l_pr, k_pr, l_un, k_un, l_data, k_data - integer g_dens(3), vectors(2), geomnew, i, j, i_off + integer g_dens(3), vectors(2), geomnew, i, j, i_off, ii, jj integer isonra, isonrb double precision atn, isotr, aniso, znuc character*3 scftyp @@ -265,15 +265,15 @@ c c c Sum components into FC section c - do i = 0, 8 + do ii = 0, 8 value = 0.0d0 - do j = 0, 4 - value = value + dbl_mb(i_off+9*j+i) + do jj = 0, 4 + value = value + dbl_mb(i_off+9*jj+ii) enddo - dbl_mb(i_off+i) = value + dbl_mb(i_off+ii) = value enddo isotr = (dbl_mb(i_off)+dbl_mb(i_off+4)+dbl_mb(i_off+8))/3.0d0 - write(LuOut,9006) (dbl_mb(i_off+i),i=0,8) + write(LuOut,9006) (dbl_mb(i_off+ii),ii=0,8) write(LuOut,9803) isotr write(LuOut,'(/)') c