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freebsd-ports/biology/psi88/pkg-descr
Satoshi Taoka d05574972e Plotting wavefunctions (molecular orbitals) in 3D
PR:             ports/8696
Submitted by:   Ryo MIYAMOTO rmiya@cc.hirosaki-u.ac.jp
1999-05-06 08:22:15 +00:00

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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/programs/psi88.html