ML RCUT1: Difference between revisions
No edit summary |
No edit summary |
||
| Line 1: | Line 1: | ||
{{TAGDEF|ML_RCUT1|[real]|5.0}} | {{TAGDEF|ML_RCUT1|[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 <math>R_\text{cut}</math> for the radial descriptor <math>\rho^{(2)}_i(r)</math> in the machine learning force field method as described in [[Machine learning force field: Theory#Descriptors|this section]]. | ||
---- | ---- | ||
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>. | ||
Revision as of 18:14, 10 October 2021
ML_RCUT1 = [real]
Default: ML_RCUT1 = 5.0
Description: This flag sets the cutoff radius for the radial descriptor in the machine learning force field method as described in this section.
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