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standard titles for modules

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This commit is contained in:
Robert Harrison 1997-07-30 02:08:21 +00:00
parent 7af2fbbb7d
commit 8a938607f8
11 changed files with 26 additions and 22 deletions
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2
src/cphf/cphf.F
View file

@ -11,7 +11,7 @@ c
c
if(util_print('information',print_default) .and.
$ ga_nodeid().eq.0) then
call util_print_centered(6,'NWCHEM CPHF Module',40,.true.)
call util_print_centered(6,'NWChem CPHF Module',40,.true.)
write(6,*)
write(6,*)
endif

5
src/ddscf/vectors.F
View file

@ -1,6 +1,6 @@
logical function movecs_read_header(filename, title, basis_name,
$ scftype, nbf, nsets, nmo, ldnmo)
C$Id: vectors.F,v 1.29 1997-04-25 06:49:48 d3g681 Exp $
C$Id: vectors.F,v 1.30 1997-07-30 02:05:10 d3g681 Exp $
implicit none
#include "global.fh"
#include "tcgmsg.fh"
@ -564,7 +564,8 @@ c
character*255 gtitle
integer l_tmp, k_tmp
integer len1, nrow, ncol, type
integer ok, i, j
integer ok, i
**** integer j
c
call ga_sync
c

2
src/dftgrad/grad_dft.F
View file

@ -91,7 +91,7 @@ c
write(luout,*)
write(luout,*)
call util_print_centered(luout,
& 'NWCHEM DFTGRAD Module',40,.true.)
& 'NWChem DFT Gradient Module',40,.true.)
write(luout,*)
write(luout,*)
if (title .ne. ' ')then

4
src/hessian/scf_hessian.F
View file

@ -1,5 +1,5 @@
logical function scf_hessian(rtdb)
* $Id: scf_hessian.F,v 1.3 1997-03-21 01:06:21 d3e129 Exp $
* $Id: scf_hessian.F,v 1.4 1997-07-30 02:05:26 d3g681 Exp $
implicit none
#include "mafdecls.fh"
#include "global.fh"
@ -54,7 +54,7 @@ c
c
if (ga_nodeid().eq.0) then
if (util_print('information',print_low)) then
call util_print_centered(luout,'NWCHEM HESSIAN Module',
call util_print_centered(luout,'NWChem Hessian Module',
$ 40,.true.)
write(luout,*)
call util_flush(luout)

4
src/input/input_parse.F
View file

@ -1,5 +1,5 @@
logical function input_parse(rtdb)
C $Id: input_parse.F,v 1.36 1997-04-25 00:41:32 d3e129 Exp $
C $Id: input_parse.F,v 1.37 1997-07-30 02:05:37 d3g681 Exp $
implicit none
integer rtdb ! [input]
#include "inp.fh"
@ -27,7 +27,7 @@ c
c
write(6,*)
write(6,*)
call util_print_centered(6, 'NWCHEM Input Module', 40, .true.)
call util_print_centered(6, 'NWChem Input Module', 40, .true.)
write(6,*)
write(6,*)
c

4
src/mp2_grad/mp2_grad.F
View file

@ -1,6 +1,6 @@
logical function semi_dir_mp2(rtdb)
*
* $Id: mp2_grad.F,v 1.21 1997-05-14 20:08:19 d3g681 Exp $
* $Id: mp2_grad.F,v 1.22 1997-07-30 02:06:45 d3g681 Exp $
*
implicit none
#include "mafdecls.fh"
@ -66,7 +66,7 @@ c
if(ga_nodeid().eq.0)then
if(util_print('information',print_low))then
call util_print_centered(6,
$ 'NWChem MP2 semi-direct energy/gradient module',
$ 'NWChem MP2 Semi-direct Energy/Gradient Module',
$ 40,.true.)
write(6,*)
write(6,*)

4
src/nwdft/nwdft.F
View file

@ -2,7 +2,7 @@
c
c>>> driver
c
C$Id: nwdft.F,v 1.32 1997-06-11 18:16:38 d3h449 Exp $
C$Id: nwdft.F,v 1.33 1997-07-30 02:06:57 d3g681 Exp $
implicit none
c****
c**** nwchem handles
@ -60,7 +60,7 @@ c only process 0 will write to it
& title = ' '
if(iproc.eq.0) then
call util_print_centered(
& LuOut, 'NWCHEM DFT Module', 40, .true.)
& LuOut, 'NWChem DFT Module', 40, .true.)
write(LuOut,*)
write(LuOut,*)
if (title .ne. ' ') then

4
src/rimp2/rimp2.F
View file

@ -1,5 +1,5 @@
Logical Function RIMP2( RTDB )
C$Id: rimp2.F,v 1.35 1997-04-01 03:43:33 gg502 Exp $
C$Id: rimp2.F,v 1.36 1997-07-30 02:07:58 d3g681 Exp $
Implicit NONE
Integer RTDB
C
@ -303,7 +303,7 @@ C **********************************************
C
If ( Me .eq. 0 .AND. PrInfo) then
C
Call Util_Print_Centered(LuOut, 'NWCHEM RI-MP2 Energy', 40,
Call Util_Print_Centered(LuOut, 'NWChem RI-MP2 Module', 40,
$ .TRUE.)
If ( JobTitle .ne. ' ') Call Util_Print_Centered( LuOut,
$ JobTitle, 40, .FALSE.)

4
src/stepper/stpr_walk.F
View file

@ -1,5 +1,5 @@
logical function stpr_walk(rtdb)
c $Id: stpr_walk.F,v 1.26 1996-11-02 03:13:24 vg038 Exp $
c $Id: stpr_walk.F,v 1.27 1997-07-30 02:08:15 d3g681 Exp $
implicit none
c
#include "mafdecls.fh"
@ -73,7 +73,7 @@ c
if (.not. rtdb_cget(rtdb, 'title', 1, title))
$ title = ' '
if (util_print('information',print_low)) then
call util_print_centered(6, 'NWCHEM STEPPER Module',
call util_print_centered(6, 'NWChem STEPPER Module',
$ 40, .true.)
write(6,*)
write(6,*)

5
src/task/task_num_grad.F
View file

@ -1,6 +1,6 @@
logical function task_num_grad(rtdb)
*
* $Id: task_num_grad.F,v 1.18 1997-07-17 22:22:01 d3e129 Exp $
* $Id: task_num_grad.F,v 1.19 1997-07-30 02:08:20 d3g681 Exp $
*
implicit none
#include "geom.fh"
@ -90,7 +90,8 @@ c
$ call errquit('task_num_grad: store of geom failed',0)
c
if (oprint_info) then
call util_print_centered(6, 'NWChem Numerical Gradients',
call util_print_centered(6,
$ 'NWChem Numerical Gradients Module',
$ 40, .true.)
write(6,*)
write(6,*)

10
src/task/task_optimize.F
View file

@ -1,5 +1,5 @@
logical function task_optimize(rtdb)
c $Id: task_optimize.F,v 1.10 1997-06-25 18:09:17 d3e129 Exp $
c $Id: task_optimize.F,v 1.11 1997-07-30 02:08:21 d3g681 Exp $
implicit none
#include "mafdecls.fh"
#include "rtdb.fh"
@ -54,7 +54,8 @@ c
$ util_print('task_optimize', print_low)) then
write(6,*)
write(6,*)
call util_print_centered(6,'NWChem Geometry Optimization',
call util_print_centered(6,
$ 'NWChem Geometry Optimization',
$ 40,.true.)
write(6,*)
write(6,*)
@ -118,7 +119,7 @@ c
c
end
logical function task_saddle(rtdb)
c $Id: task_optimize.F,v 1.10 1997-06-25 18:09:17 d3e129 Exp $
c $Id: task_optimize.F,v 1.11 1997-07-30 02:08:21 d3g681 Exp $
implicit none
#include "mafdecls.fh"
#include "rtdb.fh"
@ -176,7 +177,8 @@ c
$ util_print('task_saddle', print_low)) then
write(6,*)
write(6,*)
call util_print_centered(6,'NWChem Geometry Optimization',
call util_print_centered(6,
$ 'NWChem Transition State Search',
$ 40,.true.)
write(6,*)
write(6,*)