ML RCUT2: Difference between revisions

Revision as of 09:11, 23 August 2021

ML_RCUT2 = [real]
Default: ML_RCUT2 = ML_RCUT1

Description: This flag sets the cutoff radius for the angular descriptor in the machine learning force field method.

The unit of the cut-off radius is given in $\mathrm {\AA}$ .

@@ Line 1: / Line 1: @@
-{{TAGDEF|ML_FF_RCUT2_MB|[real]|ML_FF_RCUT1_MB}}
+{{TAGDEF|ML_RCUT2|[real]|ML_RCUT1}}
@@ Line 7: / Line 7: @@
 == Related Tags and Sections ==
-{{TAG|ML_FF_LMLFF}}, {{TAG|ML_FF_RCUT1_MB}}, {{TAG|ML_FF_W1_MB}}, {{TAG|ML_FF_SION1_MB}}, {{TAG|ML_FF_SION2_MB}}
+{{TAG|ML_LMLFF}}, {{TAG|ML_RCUT1}}, {{TAG|ML_W1}}, {{TAG|ML_SION1}}, {{TAG|ML_SION2}}
-{{sc|ML_FF_RCUT1_MB|Examples|Examples that use this tag}}
+{{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]]