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Put rtdb first in int_normalize call

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This commit is contained in:
Kenneth Dyall 2000-02-04 19:48:05 +00:00
parent d4be0f6c2a
commit 948b0649f3
5 changed files with 10 additions and 10 deletions
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4
src/ccsd/ccsd_driver.F
View file

@ -1,6 +1,6 @@
subroutine ccsd_driver( rtdb, geom, basis, movecs_in,
$ oconverged)
C $Id: ccsd_driver.F,v 2.28 2000-02-04 01:22:42 mg201 Exp $
C $Id: ccsd_driver.F,v 2.29 2000-02-04 19:45:55 mg201 Exp $
implicit none
#include "mafdecls.fh"
#include "global.fh"
@ -165,7 +165,7 @@ c
c
c Initialise integrals and screening
c
if (.not.int_normalize(basis,rtdb))
if (.not.int_normalize(rtdb,basis))
& call errquit('ccsd_driver: int_normalize failed',911)
call int_init(rtdb,1, basis)
call schwarz_init(geom,basis)

4
src/cphf/cphf_poliz.F
View file

@ -5,7 +5,7 @@ c BGJ - 8/98
c
logical function cphf_poliz(rtdb)
*
* $Id: cphf_poliz.F,v 1.12 2000-02-04 01:23:49 mg201 Exp $
* $Id: cphf_poliz.F,v 1.13 2000-02-04 19:46:54 mg201 Exp $
*
implicit none
#include "mafdecls.fh"
@ -54,7 +54,7 @@ c
$ call errquit('cphf_poliz: bas_create?', 0)
if(.not.bas_rtdb_load(rtdb, geom, basis, 'ao basis'))
$ call errquit('cphf_poliz: no ao basis ', 0)
if (.not.int_normalize(basis,rtdb))
if (.not.int_normalize(rtdb,basis))
$ call errquit('cphf_poliz: int_normalize failed ', 0)
if (hf_job) then
if (.not. rtdb_cget(rtdb, 'scf:input vectors', 1, movecs))

4
src/cphf/cphf_solve.F
View file

@ -1,6 +1,6 @@
subroutine cphf_solve(rtdb)
*
* $Id: cphf_solve.F,v 1.23 2000-02-04 01:23:49 mg201 Exp $
* $Id: cphf_solve.F,v 1.24 2000-02-04 19:46:55 mg201 Exp $
*
implicit none
#include "mafdecls.fh"
@ -77,7 +77,7 @@ c !!! Hack to set up scftype properly for later code !!! ? need this?
c write(*,*)'*** cphf_solve: scftype ',scftype
c
call scf_init(rtdb)
if (.not.int_normalize(basis,rtdb))
if (.not.int_normalize(rtdb,basis))
& call errquit('cphf_solve: int_normalize failed',911)
nbases = 1
bases(1) = basis

4
src/ddscf/movecs_proj.F
View file

@ -1,5 +1,5 @@
subroutine movecs_project(rtdb, geom, basis, g_vecs)
C$Id: movecs_proj.F,v 1.9 2000-02-04 01:25:15 mg201 Exp $
C$Id: movecs_proj.F,v 1.10 2000-02-04 19:48:05 mg201 Exp $
implicit none
#include "rtdb.fh"
#include "mafdecls.fh"
@ -75,7 +75,7 @@ c
$ ('movecs_project: bas_create', 0)
if (.not. bas_rtdb_load(rtdb, geom, old_basis, old_basis_name))
$ call errquit('movecs_project: no old basis?', 0)
if (.not.int_normalize(old_basis,rtdb))
if (.not.int_normalize(rtdb,old_basis))
$ call errquit('movecs_project: int_normalize failed', 0)
if (.not. movecs_read_header(old_filename, old_title,
$ basis_name_from_file, old_scftype,

4
src/ddscf/scf.F
View file

@ -1,5 +1,5 @@
logical function scf(rtdb)
C$Id: scf.F,v 1.61 2000-02-04 01:25:15 mg201 Exp $
C$Id: scf.F,v 1.62 2000-02-04 19:48:05 mg201 Exp $
implicit none
#include "mafdecls.fh"
#include "global.fh"
@ -156,7 +156,7 @@ c
call util_flush(6)
endif
c
if (.not.int_normalize(basis,rtdb))
if (.not.int_normalize(rtdb,basis))
$ call errquit('scf:int_normalize failed', 0)
c
c If input and output movecs are same then might be converged MOs