ML W1: Difference between revisions

Revision as of 11:02, 6 September 2021

ML_W1 = [real]
Default: ML_W1 = 0.5

Description: This tag defines the weight for the radial (and angular) descriptor within the machine learning force field method.

The weight for the angular descriptor $W_{2}$ is internally derived from the weight of the radial descriptor $W_{1}$ as:

$W_{2}=1.0-W_{1}.$

By default this descriptor is used together with the angular descriptor with equal weights. If the weight of either becomes 0 then the internal routines for that descriptor are mostly skipped.

Related Tags and Sections

ML_LMLFF, ML_RCUT1, ML_RCUT2, ML_SION1, ML_SION2

Examples that use this tag

@@ Line 1: / Line 1: @@
-{{TAGDEF|ML_FF_W1_MB|[real]|0.5}}
+{{TAGDEF|ML_W1|[real]|0.5}}
 Description: This tag defines the weight for the radial (and angular) descriptor within the machine learning force field method.
@@ Line 10: / Line 10: @@
 == Related Tags and Sections ==
-{{TAG|ML_FF_LMLFF}}, {{TAG|ML_FF_RCUT1_MB}}, {{TAG|ML_FF_RCUT2_MB}}, {{TAG|ML_FF_SION1_MB}},{{TAG|ML_FF_SION2_MB}}
+{{TAG|ML_LMLFF}}, {{TAG|ML_RCUT1}}, {{TAG|ML_RCUT2}}, {{TAG|ML_SION1}}, {{TAG|ML_SION2}}
-{{sc|ML_FF_W1_MB|Examples|Examples that use this tag}}
+{{sc|ML_W1|Examples|Examples that use this tag}}
 ----
 [[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]]