OpenFermion PySCF Versions Save

OpenFermion plugin to interface with the electronic structure package PySCF.


2 years ago

This release integrates with OpenFermion 1.0. The main difference is that MolecularData is now correctly imported from the chem submodule.


4 years ago

Minor release necessary to sync the library with PySCF.


4 years ago

Third production release. Necessary because readme encoding issue caused some systems install problems.

  • Fixed readme encoding issue.
  • Added stable continuous integration using Travis.
  • Added functions for directly generating InteractionOperators.


5 years ago

New release makes plugin consistent with breaking changes in OpenFermion core introduced in OpenFermion v0.6. This release also features a new data structure: PyscfMolecularData.


5 years ago

First production release! Improvements over previous alpha version includes:

  • Now uses PySCF to store overlap matrix from mean-field calculations.
  • Updated README with citations.


5 years ago
  • Adds AO overlap integrals into data.
  • Ensures compatibility with latest OpenFermion.


5 years ago
  • Adapted library to breaking changes in OpenFermion v0.1a3.
  • Removed buggy example in
  • Improved installation instructions.


5 years ago
  • Clarified installation instructions.
  • Removed inconsistencies in manifest and readme.
  • Updated package requirements.


5 years ago

First alpha release of OpenFermion-PySCF. Release is mostly a fork from FermiLib-Plugin-PySCF with adaptations to support OpenFermion instead of FermiLib.

Initial commit made on behalf of Ryan Babbush (Google), Jarrod McClean (Google), Ian Kivlichan (Harvard), Damian Steiger (ETH Zurich), Thomas Haner (ETH Zurich) and Dave Bacon (Google).