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Small fixes to update utility.

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This commit is contained in:
Theresa Windus 2000-11-04 00:18:02 +00:00
parent 0d55a0f17c
commit dfd3c3b809
3 changed files with 10 additions and 13 deletions
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8
contrib/mov2asc/Makefile
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@ -1,5 +1,5 @@
# Makefile for movecs <--> ASCII translators
# $Id: Makefile,v 1.3 1997-04-01 22:26:12 rg240 Exp $
# $Id: Makefile,v 1.4 2000-11-04 00:18:02 windus Exp $
# Tested on KSR, Cray-T3D
# Requires NWCHEM_TARGET to be set.
@ -23,11 +23,11 @@ ifeq ($(NWCHEM_TARGET),IBM)
endif
ifeq ($(NWCHEM_TARGET),IBM)
CPPFLAGS = -WF,"-I../../src/include" # Needs MA includes
CPPFLAGS = -WF,"-I../../src/tools/include" # Needs MA includes
else
CPPFLAGS = -I../../src/include # Needs MA includes
CPPFLAGS = -I../../src/tools/include # Needs MA includes
endif
LDFLAGS = -L../../lib/${NWCHEM_TARGET} -lutil # Needs MA library
LDFLAGS = -L../../src/tools/lib/${NWCHEM_TARGET} -lma # Needs MA library
all: mov2asc asc2mov

6
contrib/mov2asc/README
View file

@ -1,11 +1,11 @@
$Id: README,v 1.1 1995-06-02 04:16:29 gg502 Exp $
$Id: README,v 1.2 2000-11-04 00:18:02 windus Exp $
This is a pair of programs that translate between NWChem movecs files
in the usual binary format and an ASCII form that can be moved to
abother platform and converted back into a binary file for that
another platform and converted back into a binary file for that
machine. They are quite simple, and don't do much error checking, but
they seem to work.
Known to work on KSR, Cray-T3D.
Known to work on Sun and SGI
Requires NWChem's include files and libutil.a containing the MA
library.

9
contrib/mov2asc/asc2mov.F
View file

@ -1,14 +1,14 @@
Program asc2mov
Implicit NONE
C
C Writes formatted (ASCII) movecs file, reads binary version
C Reads formatted (ASCII) movecs file, writes binary version
C
C Usage: asc2mov guess_nbf infile outfile
C
C guess_nbf must be at least as large as the NBF in the file to be
C translated.
C
C $Id: asc2mov.F,v 1.3 1997-04-01 22:26:13 rg240 Exp $
C $Id: asc2mov.F,v 1.4 2000-11-04 00:18:02 windus Exp $
C
#include "mafdecls.fh"
c
@ -39,7 +39,7 @@ C Interpret command line
C
NArgs = IArgc()
If ( NArgs .ne. 3) then
Write (0, *) 'Usage: mov2asc guess_nbf infile outfile'
Write (0, *) 'Usage: asc2mov guess_nbf infile outfile'
Call Exit(1)
EndIf
#ifdef _CRAY
@ -71,15 +71,12 @@ c
read(asclu,'(a32)') geomsum
read(asclu,'(a20)') scftype20
read(asclu,'(a26)') date
read(asclu, *)
write(binlu) basissum, geomsum, scftype20, date
c
read(asclu,'(a20)') scftype20
write(binlu) scftype20
C
read(asclu, '(I10)') LenTit
if (len(title) .lt. lentit) call errquit
$ ('movecs_write_header: title too short', lentit)
write(binlu) lentit
C
title = ' '