summaryrefslogtreecommitdiffstats
path: root/biology/psi88/pkg-descr
blob: 71acb881491818893e4772e3ef592c999c167636 (plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
PSI/88 Version 1.0  by W. L. Jorgensen & D. L. Severance

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
H-Ar.

WWW: http://zarbi.chem.yale.edu/products/psi88/index.shtml

On-line manual is available at this web site.

You can also download the source code of psi88 from
the above site as a ``psi88.tar.gz''.  When you do ungzip and
untar this archive, you will obtain some documents and
the ``psi88.tar.Z'' file which is required at this port.
OpenPOWER on IntegriCloud