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$!
$! DCL script to run the PREHUCKEL program to convert
$! filename.TMP and filename.EXP (as locally modified) files
$! produced by FORTICON8 to a set of PSI/88 input files.
$!
$! Usage: prehuckel filename (no extension)
$!
$! It assumes the graph file is named filename.TMP and the user -
$! defined parameter file to be filename.EXP.
$!
$ if p1.eqs."" then goto noargs
$!
$ assign/nolog HUCKELTMP:'p1'.tmp for013
$ assign/nolog HUCKELTMP:'p1'.exp for018
$ assign/nolog sys$command sys$input
$!
$! assign the output files
$!
$ assign/nolog 'p1'.psi1   for008
$ assign/nolog 'p1'.psicon for009
$ assign/nolog 'p1'.psi2   for010
$!
$! The following line should be in the system startup file
$! or placed in your startup file.
$! It can be uncommented here as well.
$! Replace with the disk and directory where the PSI/88 program will reside.
$!
$! define psidir dua0:[psi88]
$!
$ run PSIDIR:PREHUCKEL
$!
$ deass sys$input
$ deass for008
$ deass for009
$ deass for010
$ deass for013
$ deass for018
$ write sys$output "PSI/88 input files have been generated."
$ goto exit
$ noargs:
$ write sys$output "Usage: prehuckel filename (no extension)."
$ exit:
$ exit
Modified: Wed Oct 13 16:00:00 1993 GMT
Page accessed 4670 times since Sat Apr 17 21:33:57 1999 GMT