From 9f9bd770eee4e937b8ef7b7b2f5c1d4d55c54357 Mon Sep 17 00:00:00 2001 From: Niri Govind Date: Thu, 12 Mar 2009 20:42:05 +0000 Subject: [PATCH] Reflect changes in the development build --- src/driver/oniom.F | 6 +++--- src/driver/opt_drv.F | 4 ++-- 2 files changed, 5 insertions(+), 5 deletions(-) diff --git a/src/driver/oniom.F b/src/driver/oniom.F index 724d6d07ed..5a8f949d87 100644 --- a/src/driver/oniom.F +++ b/src/driver/oniom.F @@ -1,6 +1,6 @@ logical function oniom_energy(rtdb) * -* $Id: oniom.F,v 1.12 2003-10-17 22:54:49 carlfahl Exp $ +* $Id: oniom.F,v 1.13 2009-03-12 20:42:05 niri Exp $ * implicit none integer rtdb @@ -384,7 +384,7 @@ c $ ('oniom: getting ncent',0, GEOM_ERR) if (nat .ne. nattest) call errquit $ ('oniom: model does not have correct symmetry', 0, GEOM_ERR) - ignore = geom_zmtmak(geom,.false.) + ignore = geom_zmtmak(rtdb, geom, .false.) if (.not. geom_rtdb_store(rtdb, geom, 'oniom model')) $ call errquit('oniom: failed storing geometry',0, RTDB_ERR) if (ga_nodeid().eq.0 .and. @@ -433,7 +433,7 @@ c if (nat .ne. nattest) call errquit $ ('oniom: inter does not have correct symmetry', 0, & GEOM_ERR) - ignore = geom_zmtmak(geom,.false.) + ignore = geom_zmtmak(rtdb, geom, .false.) if (.not. geom_rtdb_store(rtdb, geom, 'oniom inter')) $ call errquit('oniom: failed storing geometry',0, RTDB_ERR) if (ga_nodeid().eq.0 .and. diff --git a/src/driver/opt_drv.F b/src/driver/opt_drv.F index 5fd8bc1a09..3449aabdba 100644 --- a/src/driver/opt_drv.F +++ b/src/driver/opt_drv.F @@ -1,6 +1,6 @@ logical function driver(rtdb) * -* $Id: opt_drv.F,v 1.117 2005-09-01 00:47:51 marat Exp $ +* $Id: opt_drv.F,v 1.118 2009-03-12 20:42:05 niri Exp $ * implicit none #include "errquit.fh" @@ -968,7 +968,7 @@ c if (source .eq. 'autoz') then if (oprint) write(6,777) 777 format(/' Regenerating redundant internal coordinates'/) - if (.not. geom_zmtmak(geom,oprint)) + if (.not. geom_zmtmak(rtdb, geom, oprint)) $ call errquit('driver: regeneration of autoz failed', $ 0, GEOM_ERR) if (oprint) write(6,*)