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