parse_gamess

This program inputs a GAMESS basis, e.g. from the EMSL basis set order form, and formats it into PyQuante format

Copyright (c) 2004, Richard P. Muller. All Rights Reserved.

PyQuante version 1.2 and later is covered by the modified BSD license. Please see the file LICENSE that is part of this distribution.

libra_py.parse_gamess.name2no(name)

Converts the name of an element to its atomic number. The input name can be upper, lower, or mixed case

libra_py.parse_gamess.parse_gamess_basis(filename)

Read a file <filename> in GAMESS format containing the info about basis for a number of elements. The function returns a dictionary containing basis info for all read elements