pyscf-ita Logo

USER DOCUMENTATION:

  • 1. Installation
  • 2. Quick Start
  • 3. Examples

DEVELOPER DOCUMENTATION:

  • 1. Atoms-in-Molecules
  • 2. Information-Theoretic Approach
  • 3. API
pyscf-ita
  • Overview: module code

All modules for which code is available

  • pyscf.ita.aim
  • pyscf.ita.dens
  • pyscf.ita.ita
  • pyscf.ita.itad
  • pyscf.ita.ked
  • pyscf.ita.promolecule
  • pyscf.ita.script

© Copyright 2023, Yilin Zhao.

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