1 result found Sort:

theochem
chemtools theochem
21
48
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