PyRank

Gaussian Type Orbitals Python Packages

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

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

7K 60 15
ifilot
pytessel

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

3K 60 15
ifilot
pydft

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

447 20 4