PyRank

Gaussian Type Orbitals Python Packages

Python packages with the GitHub topic gaussian-type-orbitals. Sorted by monthly downloads, with stars and forks.
ifilot
pyqint

An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimization

7K 61 15
ifilot
pytessel

An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimization

4K 61 15
ifilot
pydft

Python-based localized-orbital Density Functional Theory code for educational purposes.

340 22 4