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79
bsd-3-clause
3
do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
Created 2017-02-10
195 commits to master branch, last one 5 months ago
A repository for calculating Molecular Integrals, based on O-ohata method (1966) and Macmurchie-Davidson (1971)
This repository has been archived (exclude archived)
Created 2021-10-20
158 commits to main branch, last one about a year ago