FICHA · AUR

python-pyscf-git

Python-based Simulations of Chemistry Framework

  • Quantum chemistry git package
  • LIBRARY
  • SCIENCE
  • Dependency only
official+codex · reviewed · Jun 3, 2026 description in en

Description

Quantum chemistry simulation workflows can use the upstream git version of PySCF. Researchers install this variant for current electronic-structure methods, experiments, and development snapshots. Git snapshots may change numeric behavior before stable releases.

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