ML NRANK SPARSDES: Difference between revisions
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Revision as of 06:48, 23 August 2021
ML_FF_NRANK_SPARSDES_MB = [integer]
Default: ML_FF_NRANK_SPARSDES_MB = 5
Description: This tag sets the number of highest eigenvalues to which the correlation is measured within the sparsification of the angular descriptors is done within machine learning force fields.
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.