ML RDES SPARSDES

ML_FF_RDES_SPARSDES_MB = [real]
Default: ML_FF_RDES_SPARSDES_MB = 0.5 

Description: This tag sets ratio of the selected descriptors to the total number of descriptors within the sparsification of the angular descriptors is done within machine learning force fields.

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For details on the theory of angular descriptor sparsification see here.

For details on how to use the sparsification see the tag ML_FF_LSPARSDES_MB.

The values for ML_FF_RDES_SPARSDES_MB should be chosen between $0 < r \leq 1$.

Related Tags and Sections

ML_FF_LMLFF, ML_FF_LSPARSDES_MB, ML_FF_NRANK_SPARSDES_MB

Examples that use this tag