#!/bin/sh
cd inputfiles
rm -f runfile.INP runfile.pun  runfile.out
IRCDATA=runfile.irc; export IRCDATA
INPUT=runfile.INP; export INPUT
PUNCH=runfile.pun; export PUNCH
INTGRLS=runfile.INT; export INTGRLS
ORDINT=runfile.ORD; export ORDINT
JKFILE=runfile.JKF; export JKFILE
DICTNRY=runfile.DIC; export DICTNRY
DRTFILE=runfile.DRT; export DRTFILE
CIVECTR=runfile.CIV; export CIVECTR
NTNFMLA=runfile.NTN; export NTNFMLA
CIINTS=runfile.CNT; export CIINTS
WORK15=runfile.W15; export WORK15
WORK16=runfile.W16; export WORK16
CSFSAVE=runfile.CSF; export CSFSAVE
FOCKDER=runfile.FCK; export FOCKDER
DASORT=runfile.DAS; export DASORT
OUTPUT=runfile.out; export OUTPUT
AOINTS=runfile.f08; export AOINTS
LD_LIBRARY_PATH=.:$LD_LIBRARY_PATH
export LD_LIBRARY_PATH
MOINTS=runfile.f09; export MOINTS
EFPIND=runfile.f25; export EFPIND
cp runfile.inp runfile.INP
./gamess.00.x 2>gamess.log
chmod 0666 runfile.irc
chmod 0666 runfile.pun
chmod 0666 runfile.out
chmod 0666 runfile.mol
chmod 0666 gamess.log
rm runfile.INP
ex runfile.pun <<EOF
/-------- START OF -MOLPLT- INPUT FILE ----------/
1,.d
/-------- END OF -MOLPLT- INPUT FILE ----------/
.,\$d
:w! runfile.mol
:q!
EOF
