Yangxinsix/BPNNP-pytorch
The code is used for constructing interatomic force field within the framework of Behler-Parrinello Neural Network Potential (BPNNP)
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input.nn file
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The code is used for constructing interatomic force field within the framework of Behler-Parrinello Neural Network Potential (BPNNP)
Jupyter NotebookMIT