2 results found Sort:

openmopac
mopac openmopac
32
124
lgpl-3.0
5
Molecular Orbital PACkage
quantum-chemistry electronic-structure semiempirical-methods molecular-orbital-theory
Created 2019-03-25
965 commits to main branch, last one 3 days ago
theochem
chemtools theochem
22
50
gpl-3.0
10
A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.
conceptual-dft density-matrices atoms-in-molecules population-analysis kinetic-energy-density molecular-orbital-theory
Created 2019-05-19
1,059 commits to master branch, last one 2 years ago