.. pycc documentation master file, created by sphinx-quickstart on Thu Mar 15 13:55:56 2018. You can adapt this file completely to your liking, but it should at least contain the root `toctree` directive. PyCC: A Python electronic-structure package ========================================================= PyCC is a Python *ab initio* electronic-structure package centered on coupled cluster, built on a shared :class:`~pycc.wavefunction.Wavefunction` base that also hosts Hartree-Fock (with analytic derivative properties) and MP2. It is a reference implementation: the emphasis is on clear, equation-shaped code for validating production-level quantum-chemistry codes, rather than on raw performance. .. toctree:: :maxdepth: 2 :caption: Contents: getting_started api Indices and tables ================== * :ref:`genindex` * :ref:`modindex` * :ref:`search`