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automatically be expanded to include useful information about the checkin (including the file's revision number). With the switch over to SVN this was lost because SVN only does this expansion if you explicitly ask for it (for every single file). I have added a script to the contrib directory that sets the appropriate property to get SVN to do this expansion. This script will make it easy to do this every time new source files are added. It is called svn_expand_Id, the script contains some comments that explain the issue and how it addresses this. This checkin sets this property for a subset of the relevant files (trying to commit all files at once failed with svn crashing). In future the script will only affect those files for which the property was not set before.
73 lines
2.2 KiB
Fortran
73 lines
2.2 KiB
Fortran
subroutine mjdtest(rtdb)
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*
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* $Id$
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*
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implicit none
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#include "errquit.fh"
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#include "mafdecls.fh"
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#include "global.fh"
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#include "bas.fh"
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#include "geom.fh"
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#include "rtdb.fh"
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#include "context.fh"
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c
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integer rtdb ! [input] database handle
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integer geom, basis
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logical status
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character*255 movecs_in, movecs_out
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c double precision charge,energy
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double precision energy
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c
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if (.not. context_push('mjdtest'))
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$ call errquit('mjdtest: context_push failed',0, UNKNOWN_ERR)
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c
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status = rtdb_parallel(.true.) ! Broadcast reads to all processes
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c
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call util_print_centered(6, 'NWCHEM CPHF Module', 40, .true.)
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write(6,*)
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write(6,*)
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c
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c Extract high level info from the data-base setting defaults
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c
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c
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call mjd_get_db_handles( rtdb, geom, basis, movecs_in,
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$ movecs_out )
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c if (.not. rtdb_get(rtdb, 'charge', MT_DBL, 1, charge))
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c $ charge = 0.0d0
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c
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call cphf_poliz(rtdb, geom, basis, movecs_in )
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c
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if (.not. context_pop('mjdtest'))
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$ call errquit('context_pop failed',0, UNKNOWN_ERR)
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end
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subroutine mjd_get_db_handles( rtdb, geom, basis, movecs_in,
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$ movecs_out )
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implicit none
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#include "errquit.fh"
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#include "bas.fh"
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#include "geom.fh"
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#include "rtdb.fh"
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#include "context.fh"
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c
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integer rtdb
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integer geom, basis
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character*(*) movecs_in, movecs_out
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if (.not. geom_create(geom, 'geometry'))
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$ call errquit('get_db_handles: geom_create?', 0, GEOM_ERR)
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if (.not. geom_rtdb_load(rtdb, geom, 'geometry'))
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$ call errquit('get_db_handles: no geometry ', 0, RTDB_ERR)
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if (.not. bas_create(basis, 'ao basis'))
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$ call errquit('get_db_handles: bas_create?', 0, BASIS_ERR)
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if (.not. bas_rtdb_load(rtdb, geom, basis, 'ao basis'))
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$ call errquit('get_db_handles: no ao basis ', 0, RTDB_ERR)
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if (.not. context_rtdb_match(rtdb, 'input mo vector file',
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$ movecs_in)) movecs_in = 'movecs'
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c
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if (.not. geom_print(geom)) call errquit('cphf', 0, GEOM_ERR)
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if (.not. bas_print(basis)) call errquit('cphf', 0, BASIS_ERR)
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c
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return
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end
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