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refactor DeepEval #3213

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merged 25 commits into from
Feb 8, 2024

fix the virial shape since DERV_C changed from (3,3) to (9,)

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Merged

refactor DeepEval #3213

fix the virial shape since DERV_C changed from (3,3) to (9,)
6b104e3
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GitHub Advanced Security / CodeQL succeeded Feb 8, 2024 in 2s

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Returning tuples with varying lengths Note

DeepTensor.eval_full returns
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DeepPot.eval returns tuple of size 3 and
tuple of size 5
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