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ML NRANK SPARSDES

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ML_NRANK_SPARSDES = [integer]
Default: ML_NRANK_SPARSDES = 5 

Description: This tag sets the number of highest eigenvalues to which the correlation is measured 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.

Related Tags and Sections

ML_LMLFF, ML_LSPARSDES, ML_RDES_SPARSDES

Examples that use this tag