CCL Home Page
Up Directory CCL posting
Dan Severence from Yale University has another present for us.
The Molecular Orbital Plotting program - PSI88. Send your comments and thanks
   Dan Severance

The headlines are:
                             PSI/88 Version 1.0
    Purpose:       To plot wavefunctions in three dimensions from
                  semi-empirical and most popular ab initio basis sets. 
                  Valence semi-empirical, STO-3G, 3-21++G(*) and
                  6-31++G(d,p) basis sets are implemented for atoms
    Language:      FORTRAN 77
    Tested on:     Silicon Graphics, SUN, VMS, ULTRIX, CYBER 205, CRAY.
                   Should be easily portable to others.
    Required:      Any CALCOMP compatible graphics library - some are
                   included in the distribution (e.g. PostScipt and HPGL)
    Memory:        200K Single precision 32bit words - PSI1, PSICON
                   400K Single precision 32bit words - PSI2
    Authors:       William L. Jorgensen
                   Daniel L. Severance
                   Department of Chemistry
                   Yale University
                   P.O. Box 6666
                   New Haven, CT 06511, USA.
                   Phone (203) 432-6288
                   Fax (203) 432-6144
How to get it ? (the total disk space required is about 400kBytes)

If you have ftp:
ftp   (or ftp
Login: anonymous
Password: Your_email_address
ftp> cd pub/chemistry/psi88
ftp> ls -l 
ftp> binary
ftp> get psi88.tar.Z
ftp> quit

then uncompress and untar psi88 as:
zcat psi88.tar.Z | tar xvof -

If you do not have ftp:
You can only use this method if your mailer allows files as large as 140kB.
Send following messages to or OSCPOST@OHSTPY.BITNET
    send psi88/readme from chemistry
    send psi88/psi88.doc from chemistry
    send psi88/oscpostfile from chemistry
Read "readme" and "psi88.doc" files when they arrive and decide what you need.
Use your favorite editor to remove headers from "oscpostfile" and delete files
which you need. Send "oscpostfile" to or OSCPOST@OHSTPY.BITNET
and patiently collect the incoming mail into appropriate files (which are 
given in the subject lines). It is a lot of work (as you can see after
reading "readme" file) since before you can use these files, you have to
carefully edit out the e-mail headers. 

Jan Labanowski
Ohio Supercomputer Center, JKL@OHSTPY.BITNET

Modified: Sun May 26 16:00:00 1991 GMT
Page accessed 11678 times since Sat Apr 17 21:35:10 1999 GMT