ML RCUT1: Difference between revisions
No edit summary |
No edit summary |
||
| Line 3: | Line 3: | ||
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. | ||
---- | ---- | ||
The unit of the cut-off radius is given in <math>\AA</math>. | |||
== Related Tags and Sections == | == Related Tags and Sections == | ||
Revision as of 10:20, 16 July 2019
ML_FF_RCUT1_MB = [real]
Default: ML_FF_RCUT1_MB = ML_FF_RCUT2_MB
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 .
Related Tags and Sections
ML_FF_LMLFF, ML_FF_RCUT2_MB, ML_FF_W1_MB, ML_FF_W2_MB