ML NRANK SPARSDES: Difference between revisions
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{{sc|ML_EPS_LOW|Examples|Examples that use this tag}} | {{sc|ML_EPS_LOW|Examples|Examples that use this tag}} | ||
[[Category:INCAR tag]][[Category:Machine | [[Category:INCAR tag]][[Category:Machine-learned force fields]] | ||
Revision as of 13:29, 8 April 2022
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.