A small package to couple Quantum Monte Carlo codes to Machine Learning Force Fields through ASE.
Project description
QMCblip
QMC Based Learning of Interatomic Potentials
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/.
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