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stfc / janus

collection of scripts to train and generate data for machine learnt interatomic potentials
BSD 3-Clause "New" or "Revised" License
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Fix AL directory and run command #24

Closed ElliottKasoar closed 1 year ago

ElliottKasoar commented 1 year ago

Fixes the active learning path, and reverts a change to use mpirun rather than srun, for more flexibility in the number of tasks.