ML RDES SPARSDES: Difference between revisions
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{{TAGDEF|ML_RDES_SPARSDES|[real]|0.5}} | {{TAGDEF|ML_RDES_SPARSDES|[real]|0.5}} | ||
Description: This tag sets ratio of the selected | Description: This tag sets the ratio of the selected to the total number of descriptors within the angular descriptor sparsification (within the machine learning force field 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]]. | ||
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For details on how to use the sparsification see the tag {{TAG|ML_LSPARSDES}}. | For details on how to use the sparsification see the tag {{TAG|ML_LSPARSDES}}. | ||
The values for {{TAG|ML_RDES_SPARSDES}} | The values for {{TAG|ML_RDES_SPARSDES}} must be chosen between <math>0 < r \leq 1</math>. | ||
== Related Tags and Sections == | == Related Tags and Sections == | ||
Revision as of 19:45, 11 October 2021
ML_RDES_SPARSDES = [real]
Default: ML_RDES_SPARSDES = 0.5
Description: This tag sets the ratio of the selected to the total number of descriptors 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.
The values for ML_RDES_SPARSDES must be chosen between .
