ML LSPARSDES: Difference between revisions
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== Related tags and articles == | == Related tags and articles == | ||
{{TAG|ML_LMLFF}}, {{TAG|ML_NRANK_SPARSDES}}, {{TAG| | {{TAG|ML_LMLFF}}, {{TAG|ML_RDES_SPARSDES}}, {{TAG|ML_NRANK_SPARSDES}}, {{TAG|ML_DESC_TYPE}} | ||
{{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-learned force fields]] | [[Category:INCAR tag]][[Category:Machine-learned force fields]] | ||
Revision as of 21:39, 7 February 2024
ML_LSPARSDES = [logical]
Default: ML_LSPARSDES = .FALSE.
Description: Specifies whether angular-descriptor sparsification is enabled within the machine learning force field method.
| Mind: This tag is only available as of VASP 6.4.3. |
To use the sparsification of angular descriptors set the following tags:
- ML_LSPARSDES=.TRUE..
- The ratio of the selected descriptors to the total number of descriptors: ML_RDES_SPARSDES. This tag controls the extent of the sparsification.
- The number of the highest eigenvalues to which the correlation is measured via the leverage scoring: ML_NRANK_SPARSDES. This tag usually does not need to be changed.