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Examples with DMFF+EANN forcefield

Environment requirements: DMFF; i-pi

Note: 1. DMFF version devel f824d75e5d64e6d12ecfbb94cda5914abe71c72c 2. jax version 0.4.14

run MD:
conda activate [environmentname]
cd folder
sbatch sub.sh

Properties:
RDF: python plot_RDF.py
density: python get_density.py

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CMD examples with DMFF+EANN forcefield

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