ML NRANK SPARSDES: Difference between revisions
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{{TAGDEF|ML_NRANK_SPARSDES|[integer]|5}} | {{TAGDEF|ML_NRANK_SPARSDES|[integer]|5}} | ||
Description: This tag sets the number of highest eigenvalues to which the correlation is measured within the sparsification | 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 method). | ||
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For details on the theory of angular descriptor sparsification see [[Machine learning force field: Theory#Sparsification of angular descriptors|here]]. | For details on the theory of angular descriptor sparsification see [[Machine learning force field: Theory#Sparsification of angular descriptors|here]]. | ||
Revision as of 19:41, 11 October 2021
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 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.