bytedance / DeepSolid

A library combining solid quantum Monte Carlo and neural network.
Apache License 2.0
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Add tri feature which is needed for force calculation #3

Closed AllanChain closed 3 months ago

AllanChain commented 5 months ago

We are about to release the NetObs package, which features in force calculation for molecular and solid systems. As discussed, the default nu input feature does a bad job for force calculation in some cases, and the tri feature is considerably better. Therefore, adding the tri feature into DeepSolid code is required before the release of NetObs.