/FermiCluster

A python library to run fermionic many body problem by partitioning the system into strongly interacting clusters and using approximate methods to capture the interactions between them.

Primary LanguagePythonApache License 2.0Apache-2.0

Build Status

Fermi-Cluster

Fermi-Cluster is an open source program to run tensor product based quantum chemistry by partitioning the system into clusters. Fermi-Cluster uses pyscf as a back-end for molecular systems and ray for parallelization.

Installation

  1. Download

     git clone https://github.com/vibinabraham/fermicluster.git
 cd tpsci/

  2. create virtual environment (optional)

     virtualenv -p python3 venv
 source venv/bin/activate

  3. Install

     pip install .

  4. run tests

     pytest test/*.py