NNP

This section contains all information to run an helium-solute interaction Neural Network Potential (NNP) calculation. [Edit on GitHub]

Subsections

• MODEL
• PRINT
• SR_CUTOFF

Keywords

• NNP_INPUT_FILE_NAME

• SCALE_FILE_NAME

Keyword descriptions

NNP_INPUT_FILE_NAME

Type: string
Default: input.nn

Description: File containing the input information for the setup of the NNP (n2p2/RuNNer format).

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SCALE_FILE_NAME

Type: string
Default: scaling.data

Description: File containing the scaling information for the symmetry functions of the NNP.

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