#! /bin/csh
#
# Step 1 of the Monstergauss source conversion procedure.
# This file saved as ~mgauss/bin/convrt150.job.
#
# Usage: ~mgauss/bin/convrt150.job >&/tmp/convrt150.out &.
#
switch ("`uname`")
case HP-UX:
   set os = hp
   breaksw
case IRIX*:
   set os = sgi
   breaksw
default:
   set os = UNKNOWN
   breaksw
endsw
#
if (-f /tmp/convert.input) then
   echo "File /tmp/convert.input already exists - job aborted."
   exit(1)
endif
~mgauss/bin/$os/convrt1 <<'EOF'
 
#MACH   =IBM      CONVERT TO IBM SYSTEM
#NA     =      30 NUMBER OF ATOMS
#NB     =     150 NUMBER OF BASIS FUNCTIONS (A.O.'S)
#NS     =      80 NUMBER OF SHELLS
#NP     =     250 NUMBER OF PRIMITIVE GAUSSIANS
#NR     =      76 NUMBER OF OCCUPIED ORBITALS IN RHF
#NF     =     100 NUMBER OF FOCK MATRICES IN RHF
#NC     =     100 NUMBER OF CONFIGURATIONS IN RHF
#NO     =     125 NUMBER OF OPTIMIZABLE PARAMETERS
#NT     =      60 NUMBER OF TRANSFORMED ORBITALS
#NCON   =   32000 NUMBER OF CONFIGURATIONS IN CI
#MA     =      15 NUMBER OF ACTIVE OCCUPIED MO IN CI
#MV     =      40 NUMBER OF ACTIVE SUBSTITUTING MO IN CI
#NDHF   =     100 NUMBER OF BASIS FUNCTIONS IN DHF
#IRECL  =    6232 RECORD SIZE IN BYTES (GOULD=6144, IBM=6232, REST=6400)
'EOF'
#
echo " "
echo "Run file /tmp/convert.input to continue processing."
chmod +x /tmp/convert.input
echo " "
echo "Delete file /tmp/convrt150.out now."