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Diffstat (limited to 'biology/psi88/pkg-descr')
| -rw-r--r-- | biology/psi88/pkg-descr | 9 |
1 files changed, 9 insertions, 0 deletions
diff --git a/biology/psi88/pkg-descr b/biology/psi88/pkg-descr new file mode 100644 index 000000000000..21dfa84672c9 --- /dev/null +++ b/biology/psi88/pkg-descr @@ -0,0 +1,9 @@ +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 |