pkg-descr

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.

pkg-plist

bin/PSI1
bin/PSICON
bin/PSI2CT
bin/PSI2HP
bin/PSI2PS
bin/PSI2
bin/PREPLOT
bin/preplot
bin/rpsi1
bin/rpsi2
bin/rpsicon
%%PORTDOCS%%%%DOCSDIR%%/psi88.doc
%%PORTDOCS%%%%DOCSDIR%%/README
%%PORTDOCS%%%%DOCSDIR%%/examples/ad634a.psi1
%%PORTDOCS%%%%DOCSDIR%%/examples/ad634a.psi2
%%PORTDOCS%%%%DOCSDIR%%/examples/ad634a.psicon
%%PORTDOCS%%%%DOCSDIR%%/examples/ad635a.psi1
%%PORTDOCS%%%%DOCSDIR%%/examples/ad635a.psi2
%%PORTDOCS%%%%DOCSDIR%%/examples/ad635a.psicon
%%PORTDOCS%%%%DOCSDIR%%/examples/ad636a.psi1
%%PORTDOCS%%%%DOCSDIR%%/examples/ad636a.psi2
%%PORTDOCS%%%%DOCSDIR%%/examples/ad636a.psicon
%%PORTDOCS%%%%DOCSDIR%%/examples/ch3cl.psi1
%%PORTDOCS%%%%DOCSDIR%%/examples/ch3cl.psi2
%%PORTDOCS%%%%DOCSDIR%%/examples/ch3cl.psicon
%%PORTDOCS%%%%DOCSDIR%%/examples/test.psi1
%%PORTDOCS%%%%DOCSDIR%%/examples/test.psi2
%%PORTDOCS%%%%DOCSDIR%%/examples/test.psicon
%%PORTDOCS%%@dirrm %%DOCSDIR%%/examples
%%PORTDOCS%%@dirrm %%DOCSDIR%%