ML RCUT1: Difference between revisions
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{{TAGDEF| | {{TAGDEF|ML_RCUT1_MB|[real]|5.0}} | ||
Description: This flag sets the cutoff radius for the radial descriptor in the machine learning force field method. | Description: This flag sets the cutoff radius for the radial descriptor in the machine learning force field method. | ||
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The unit of the cut-off radius is given in <math>\AA</math>. | The unit of the cut-off radius is given in <math>\AA</math>. | ||
The value of {{TAG| | The value of {{TAG|ML_RCUT1}} is the default value for {{TAG|ML_RCUT2}}. | ||
== Related Tags and Sections == | == Related Tags and Sections == | ||
{{TAG| | {{TAG|ML_LMLFF}}, {{TAG|ML_RCUT2}}, {{TAG|ML_W1}}, {{TAG|ML_SION1}}, {{TAG|ML_SION2}} | ||
{{sc| | {{sc|ML_RCUT1|Examples|Examples that use this tag}} | ||
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[[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 09:10, 23 August 2021
ML_RCUT1_MB = [real]
Default: ML_RCUT1_MB = 5.0
Description: This flag sets the cutoff radius for the radial descriptor in the machine learning force field method.
The unit of the cut-off radius is given in . The value of ML_RCUT1 is the default value for ML_RCUT2.
Related Tags and Sections
ML_LMLFF, ML_RCUT2, ML_W1, ML_SION1, ML_SION2