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jjgoings
McMurchie-Davidson jjgoings
17
78
bsd-3-clause
3
do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
scf chemistry integrals hartree-fock quantum-chemistry mcmurchie-davidson electronic-structure
Created 2017-02-10
195 commits to master branch, last one 22 days ago
Leticia-maria
QuantumFoca.jl Leticia-maria
3
45
mit
1
A repository for calculating Molecular Integrals, based on O-ohata method (1966) and Macmurchie-Davidson (1971)
gaussian chemistry integrals chemistry-solver hartree-fock-methods computational-chemistry
This repository has been archived (exclude archived)
Created 2021-10-20
158 commits to main branch, last one 11 months ago