diff --git a/src/nwdft/scf_dft/dft_scf.F b/src/nwdft/scf_dft/dft_scf.F index 0adb864374..c45d213964 100644 --- a/src/nwdft/scf_dft/dft_scf.F +++ b/src/nwdft/scf_dft/dft_scf.F @@ -3,7 +3,7 @@ & iter, g_dens, g_movecs, g_vxc, g_fock, & g_svecs, svals, g_xcinv, g_s) c -c $Id: dft_scf.F,v 1.199 2001-11-16 02:12:41 edo Exp $ +c $Id: dft_scf.F,v 1.200 2001-11-29 22:37:26 bert Exp $ c implicit none c @@ -1259,6 +1259,9 @@ c c Store energy and convergence status ... must store before c write movecs since date of insertion is used. c + if (.not. rtdb_put(rtdb,'uhf:coulomb', mt_dbl, 1, Ecoul)) call + $ errquit('uhf: writing ecoul failed', 0) +c if (.not. rtdb_put(rtdb, 'dft:energy', MT_DBL, 1, (Etnew+Enuc))) & call errquit('dft_scf: failed to store energy in rtdb', 0) if (.not. rtdb_put(rtdb, 'dft:converged', MT_LOG, 1, converged))