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121 add training#123

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alinelena merged 18 commits intostfc:mainstfc/aiida-mlip:mainfrom federicazanca:121-add-trainingfedericazanca/aiida-mlip:121-add-trainingCopy head branch name to clipboardMay 23, 2024

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Commits on May 13, 2024

• change janus version

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Commits on May 15, 2024

• train and parser£

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• Apply suggestions from code review

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Commits on May 17, 2024

• working version of train

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• Update aiida_mlip/calculations/train.py

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• change parse structure cause too many variables

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Commits on May 20, 2024

• add tests

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• Update aiida_mlip/calculations/train.py

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• seed remove

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• small fixes

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• docs

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• docs

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• fix

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Commits on May 21, 2024

• small fix

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• docs

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• docs

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Commits on May 22, 2024

• tmp_path in test

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