From 8a938607f82808fca1042fe61ecac73de15bdb9d Mon Sep 17 00:00:00 2001 From: Robert Harrison Date: Wed, 30 Jul 1997 02:08:21 +0000 Subject: [PATCH] standard titles for modules --- src/cphf/cphf.F | 2 +- src/ddscf/vectors.F | 5 +++-- src/dftgrad/grad_dft.F | 2 +- src/hessian/scf_hessian.F | 4 ++-- src/input/input_parse.F | 4 ++-- src/mp2_grad/mp2_grad.F | 4 ++-- src/nwdft/nwdft.F | 4 ++-- src/rimp2/rimp2.F | 4 ++-- src/stepper/stpr_walk.F | 4 ++-- src/task/task_num_grad.F | 5 +++-- src/task/task_optimize.F | 10 ++++++---- 11 files changed, 26 insertions(+), 22 deletions(-) diff --git a/src/cphf/cphf.F b/src/cphf/cphf.F index d51d5c9694..c50a6704b6 100644 --- a/src/cphf/cphf.F +++ b/src/cphf/cphf.F @@ -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 diff --git a/src/ddscf/vectors.F b/src/ddscf/vectors.F index 3805bee083..1ea8d36570 100644 --- a/src/ddscf/vectors.F +++ b/src/ddscf/vectors.F @@ -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 diff --git a/src/dftgrad/grad_dft.F b/src/dftgrad/grad_dft.F index 1c22b2c195..c65d6b5db6 100644 --- a/src/dftgrad/grad_dft.F +++ b/src/dftgrad/grad_dft.F @@ -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 diff --git a/src/hessian/scf_hessian.F b/src/hessian/scf_hessian.F index f0c6a3f6c4..2fa604b3f5 100644 --- a/src/hessian/scf_hessian.F +++ b/src/hessian/scf_hessian.F @@ -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) diff --git a/src/input/input_parse.F b/src/input/input_parse.F index 0b780ca2c9..eec8d8760a 100644 --- a/src/input/input_parse.F +++ b/src/input/input_parse.F @@ -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 diff --git a/src/mp2_grad/mp2_grad.F b/src/mp2_grad/mp2_grad.F index 39dabcc7e4..43241792b5 100644 --- a/src/mp2_grad/mp2_grad.F +++ b/src/mp2_grad/mp2_grad.F @@ -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,*) diff --git a/src/nwdft/nwdft.F b/src/nwdft/nwdft.F index 049be35963..b5648ff72d 100644 --- a/src/nwdft/nwdft.F +++ b/src/nwdft/nwdft.F @@ -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 diff --git a/src/rimp2/rimp2.F b/src/rimp2/rimp2.F index 86c40621be..652cbc1b3b 100644 --- a/src/rimp2/rimp2.F +++ b/src/rimp2/rimp2.F @@ -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.) diff --git a/src/stepper/stpr_walk.F b/src/stepper/stpr_walk.F index da047708cd..d4a0f430c2 100644 --- a/src/stepper/stpr_walk.F +++ b/src/stepper/stpr_walk.F @@ -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,*) diff --git a/src/task/task_num_grad.F b/src/task/task_num_grad.F index 78774aedc0..855216caad 100644 --- a/src/task/task_num_grad.F +++ b/src/task/task_num_grad.F @@ -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,*) diff --git a/src/task/task_optimize.F b/src/task/task_optimize.F index e1a9e48e17..4e8ea25f12 100644 --- a/src/task/task_optimize.F +++ b/src/task/task_optimize.F @@ -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,*)