deepmodeling / deepmodeling/deepmd-kit
comput the input for vacuum when setting remove_vaccum_contribution
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branch: master
todo comment
type: todo
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- Python
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Description
Idealy, the input for vaccum should be computed;
we consider it as always zero for convenience.
Needs a compute_input_stats for vaccum passed from the
descriptor.
Line: 316
https://github.com/deepmodeling/deepmd-kit/blob/76371ceed2fd0d8e259e482e046da350d4006c0a//deepmd/dpmodel/fitting/general_fitting.py#L313-L323
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