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locks; strict;
comment	@# @;


1.1
date	99.05.06.08.22.14;	author taoka;	state Exp;
branches
	1.1.1.1;
next	;

1.1.1.1
date	99.05.06.08.22.14;	author taoka;	state Exp;
branches;
next	;


desc
@@



1.1
log
@Initial revision
@
text
@*** unix/rpsi2.orig	Sat May 25 03:50:02 1991
--- unix/rpsi2	Thu Nov 12 23:41:19 1998
***************
*** 13,79 ****
     if ($1 == '-hp') goto noargs
     if ($1 == '-ct') goto noargs
     echo -n 'no [-ps][-pk][-hp][-ct] options - attempting to run PSI2 '
!    /bin/time PSI2 < $1.psi2
  else
     if ($argv[1] == '-hp') then 
        echo "Generating contours ... please wait."
!       /bin/time PSI2HP < $2.psi2
        echo -n "Renaming HP Plotter file to "$2".hpp"
!       mv -f fort.10 $2.hpp
        echo "Done"
     else if ($argv[2] == '-hp') then 
        echo "Generating contours ... please wait."
!       /bin/time PSI2HP < $1.psi2
        echo -n "Renaming HP Plotter file to "$1".hpp"
!       mv -f fort.10 $1.hpp
        echo "Done"
     else if ($argv[1] == '-ct') then 
        echo "Generating contours ... please wait."
!       /bin/time PSI2CT < $2.psi2
        echo -n "Plotting for ChemText ... "
        echo -n "Renaming ChemText Metafile to "$2".met"
!       mv -f fort.10 $2.met
        echo "Done"
     else if ($argv[2] == '-ct') then 
        echo "Generating contours ... please wait."
!       /bin/time PSI2CT < $1.psi2
        echo -n "Renaming ChemText Metafile to "$1".met"
        mv -f fort.10 $1.met
        echo "Done"
     else if ($argv[1] == '-pk') then 
        echo "Generating contours ... please wait."
  #      setenv OUTPUT_DEVICE PostScript
!       /bin/time PSI2PS < $2.psi2
        echo -n "Renaming PostScript file to "$2".ps"
        mv -f psplot $argv[2].ps
        echo "Done"
     else if ($argv[2] == '-pk') then 
        echo "Generating contours ... please wait."
  #      setenv OUTPUT_DEVICE PostScript
!       /bin/time PSI2PS < $1.psi2
        echo -n "Renaming PostScript file to "$1".ps"
        mv -f psplot $argv[1].ps
        echo "Done"
     else if ($argv[1] == '-ps') then 
        echo "Generating contours ... please wait."
        setenv OUTPUT_DEVICE PostScript
!       /bin/time PSI2 < $2.psi2
  #SYSV     echo -n "Plotting on the LaserWriter ... ";lp -c /tmp/ps_plot$USER
  #SYSV     rm -f /tmp/ps_plot$USER
! #BSD      echo -n "Plotting on the LaserWriter ... ";lpr -r /tmp/ps_plot$USER
  
! echo ' edit command file to choose print options, then remove this line'
  
        echo "Done"
     else if ($argv[2] == '-ps') then 
        echo "Generating contours ... please wait."
        setenv OUTPUT_DEVICE PostScript
!       /bin/time PSI2 < $1.psi2
  #SYSV     echo -n "Plotting on the LaserWriter ... ";lp -c /tmp/ps_plot$USER
  #SYSV     rm -f /tmp/ps_plot$USER
! #BSD      echo -n "Plotting on the LaserWriter ... ";lpr -r /tmp/ps_plot$USER
  
! echo ' edit command file to choose print options, then remove this line'
  
        echo "Done"
     else
--- 13,83 ----
     if ($1 == '-hp') goto noargs
     if ($1 == '-ct') goto noargs
     echo -n 'no [-ps][-pk][-hp][-ct] options - attempting to run PSI2 '
!    time PSI2 < $1.psi2
! # PSI2 is linked to PSI2PS, then output file `psplot' will moved to $argv[1].ps
!    echo ': PSI2 is PSI2PS, now'
!    mv -f psplot $argv[1].ps
!    echo "Done"
  else
     if ($argv[1] == '-hp') then 
        echo "Generating contours ... please wait."
!       time PSI2HP < $2.psi2
        echo -n "Renaming HP Plotter file to "$2".hpp"
!       mv -f fort.66 $2.hpp
        echo "Done"
     else if ($argv[2] == '-hp') then 
        echo "Generating contours ... please wait."
!       time PSI2HP < $1.psi2
        echo -n "Renaming HP Plotter file to "$1".hpp"
!       mv -f fort.66 $1.hpp
        echo "Done"
     else if ($argv[1] == '-ct') then 
        echo "Generating contours ... please wait."
!       time PSI2CT < $2.psi2
        echo -n "Plotting for ChemText ... "
        echo -n "Renaming ChemText Metafile to "$2".met"
!       mv -f fort.66 $2.met
        echo "Done"
     else if ($argv[2] == '-ct') then 
        echo "Generating contours ... please wait."
!       time PSI2CT < $1.psi2
        echo -n "Renaming ChemText Metafile to "$1".met"
        mv -f fort.10 $1.met
        echo "Done"
     else if ($argv[1] == '-pk') then 
        echo "Generating contours ... please wait."
  #      setenv OUTPUT_DEVICE PostScript
!       time PSI2PS < $2.psi2
        echo -n "Renaming PostScript file to "$2".ps"
        mv -f psplot $argv[2].ps
        echo "Done"
     else if ($argv[2] == '-pk') then 
        echo "Generating contours ... please wait."
  #      setenv OUTPUT_DEVICE PostScript
!       time PSI2PS < $1.psi2
        echo -n "Renaming PostScript file to "$1".ps"
        mv -f psplot $argv[1].ps
        echo "Done"
     else if ($argv[1] == '-ps') then 
        echo "Generating contours ... please wait."
        setenv OUTPUT_DEVICE PostScript
!       time PSI2 < $2.psi2
  #SYSV     echo -n "Plotting on the LaserWriter ... ";lp -c /tmp/ps_plot$USER
  #SYSV     rm -f /tmp/ps_plot$USER
!       echo -n "Plotting on the LaserWriter ... ";lpr -r /tmp/ps_plot$USER
  
! #echo ' edit command file to choose print options, then remove this line'
  
        echo "Done"
     else if ($argv[2] == '-ps') then 
        echo "Generating contours ... please wait."
        setenv OUTPUT_DEVICE PostScript
!       time PSI2 < $1.psi2
  #SYSV     echo -n "Plotting on the LaserWriter ... ";lp -c /tmp/ps_plot$USER
  #SYSV     rm -f /tmp/ps_plot$USER
!       echo -n "Plotting on the LaserWriter ... ";lpr -r /tmp/ps_plot$USER
  
! #echo ' edit command file to choose print options, then remove this line'
  
        echo "Done"
     else
@


1.1.1.1
log
@Plotting wavefunctions (molecular orbitals) in 3D

PR:             ports/8696
Submitted by:   Ryo MIYAMOTO rmiya@@cc.hirosaki-u.ac.jp
@
text
@@
