Efficient estimation of diffusion processes from molecular dynamics.
Project description
Pronunciation: kee-nee-see
kinisi is an open-source package focussed on accurately quantifying the uncertainty in atomic and molecular displacements, and using this to more completely understand diffusion in materials.
Installation
kinisi is available from the PyPI repository so can be installed using pip or alternatively clone this repository and install the latest development build with the commands below.
pip install .
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