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Reflect changes in the development build

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This commit is contained in:
Niri Govind 2009-03-12 20:42:05 +00:00
parent 6edd262e83
commit 9f9bd770ee
2 changed files with 5 additions and 5 deletions
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6
src/driver/oniom.F
View file

@ -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.

4
src/driver/opt_drv.F
View file

@ -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,*)