ML RCUT1: Difference between revisions
No edit summary |
No edit summary |
||
| Line 4: | Line 4: | ||
---- | ---- | ||
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|ML_FF_RCUT1_MB}} is the default value for {{TAG|ML_FF_RCUT2_MB}}. | |||
== Related Tags and Sections == | == Related Tags and Sections == | ||
Revision as of 10:09, 16 November 2020
ML_FF_RCUT1_MB = [real]
Default: ML_FF_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_FF_RCUT1_MB is the default value for ML_FF_RCUT2_MB.
Related Tags and Sections
ML_FF_LMLFF, ML_FF_RCUT2_MB, ML_FF_W1_MB, ML_FF_SION1_MB, ML_FF_SION2_MB