ML NRANK SPARSDES: Difference between revisions
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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). | 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). | ||
{{NB|mind|This tag is only available as of VASP 6.4.3.}} | |||
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This tag usually does not need to be changed by the user! | |||
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]]. | ||
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== Related tags and articles == | == Related tags and articles == | ||
{{TAG|ML_LMLFF}}, {{TAG|ML_LSPARSDES}}, {{TAG|ML_RDES_SPARSDES}} | {{TAG|ML_LMLFF}}, {{TAG|ML_LSPARSDES}}, {{TAG|ML_RDES_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]] | ||
Latest revision as of 14:01, 20 March 2024
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).
| Mind: This tag is only available as of VASP 6.4.3. |
This tag usually does not need to be changed by the user!
For details on the theory of angular descriptor sparsification see here.
For details on how to use the sparsification see the tag ML_LSPARSDES.