QMCblip

A small package to couple Quantum Monte Carlo codes to Machine Learning Force Fields through ASE.


License
Apache-2.0
Install
pip install QMCblip==1.0.7

Documentation

QMCblip

QMC Based Learning of Interatomic Potentials

PyPI version Build Status Documentation Status GitHub Coverage Status DOI

Installation

You can install this package by cloning this repository:

git clone https://github.com/NLESC-JCER/QMCblip.git
cd QMCblip
pip install .

or by installing it from Pypi:

pip install qmcblip

Documentation

The documentation of this code can be found on https://qmcblip.readthedocs.io/.