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ML RDES SPARSDES

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ML_RDES_SPARSDES = [real]
Default: ML_RDES_SPARSDES = 0.5 

Description: This tag sets the ratio of the selected to the total number of descriptors within the angular descriptor sparsification (within the machine learning force field method).


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

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

The values for ML_RDES_SPARSDES must be chosen between .

Related Tags and Sections

ML_LMLFF, ML_LSPARSDES, ML_NRANK_SPARSDES

Examples that use this tag