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Changelog

All notable changes to this project will be documented in this file.

The format is based on Keep a Changelog, and this project adheres to Semantic Versioning.

[Unreleased]

[0.2.0] - 2026-01-19

Added

  • Initial PyPI release
  • Hartree-Fock (RHF, UHF) implementations
  • DFT with LDA and GGA functionals
  • MP2 perturbation theory
  • Gaussian basis sets (STO-3G, 6-31G, 6-31G**)
  • Cython-optimized integral routines
  • Comprehensive test suite with doctests
  • GitHub Actions CI/CD pipeline