mqcomplab

mqcomplab/Fanpy

Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in electronic structure theory.

1 good first / help-wanted issue · Python · last activity Sep 11, 2025

11 stars 4 forks 11 watchers Python GNU General Public License v3.0
1 Open Issue Need Help Last updated: Sep 11, 2025

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Maint: old wrappers about 1 year ago
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mqcomplab/Fanpy
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Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in electronic structure theory.

Python