A Python implementation of Hybrid Reverse Monte Carlo for electron scattering of thin films
Project description
About
pyHRMc is designed for HRMC simulations using experimental electron pair distribution functions as a primary constraint. This packagerelies heavily and uses code from pymatgen, which is released under the MIT license.
Full documentation can be found at https://ehrhardtkm.github.io/pyHRMC/
Installation
To install, we recommend the following:
conda create -n pyHRMC pip python==3.11
conda activate pyHRMC
git clone https://github.com/ehrhardtkm/pyHRMC.git
cd pyHRMC
pip install -e .
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