#!/bin/csh
# usage: runlist base_file_name output_name <distances>

set base = $1
set out  = $2
set i=3
 while ( $i <=  $#argv )
   set  x=$argv[$i]
   sed "s/variable_r/$x/" < $base.base > $base.inp
   rungms $base >& $base.log
   echo $x >> num
   grep "E(MP2)= " $base.log | cut -b 27-50 >> dat

#  newly added. To unite GSS calculation and MP2
   grep "TOTAL ENERGY = " $base.log | cut -b 34-50 >> dat1

   echo "Job R=$x done"
   rm $base.dat
   @ i++ 
 end
paste num dat  > $out.OUT
paste num dat1 > GSS.OUT
rm num dat