ML NRANK SPARSDES: Difference between revisions
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{{TAGDEF| | {{TAGDEF|ML_NRANK_SPARSDES|[integer]|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. | 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. | ||
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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]]. | ||
For details on how to use the sparsification see the tag {{TAG| | For details on how to use the sparsification see the tag {{TAG|ML_LSPARSDES}}. | ||
== Related Tags and Sections == | == Related Tags and Sections == | ||
{{TAG| | {{TAG|ML_LMLFF}}, {{TAG|ML_LSPARSDES}}, {{TAG|ML_RDES_SPARSDES}} | ||
{{sc| | {{sc|ML_EPS_LOW|Examples|Examples that use this tag}} | ||
[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]] | [[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]] | ||
Revision as of 09:09, 23 August 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 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_LSPARSDES.