stfc / aiida-mlip

machine learning interatomic potentials aiida plugin
https://stfc.github.io/aiida-mlip/
BSD 3-Clause "New" or "Revised" License
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add training workchain #148

Open federicazanca opened 2 months ago

federicazanca commented 2 months ago

Training workchain to do the following steps:

External plugins possible problems or things to consider