ML RCUT2: Difference between revisions
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{{TAGDEF|ML_RCUT2|[real]|ML_RCUT1}} | {{TAGDEF|ML_RCUT2|[real]|ML_RCUT1}} | ||
Description: This flag sets the cutoff radius <math>R_\text{cut}</math> for the angular descriptor <math>\rho^{(3)}_i(r)</math> in the machine learning force field method as described in [[Machine learning force field: Theory#Descriptors|this section]]. | |||
Description: This flag sets the cutoff radius for the angular descriptor in the machine learning force field method. | |||
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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 18:17, 10 October 2021
ML_RCUT2 = [real]
Default: ML_RCUT2 = ML_RCUT1
Description: This flag sets the cutoff radius [math]\displaystyle{ R_\text{cut} }[/math] for the angular descriptor [math]\displaystyle{ \rho^{(3)}_i(r) }[/math] in the machine learning force field method as described in this section.
The unit of the cut-off radius is given in [math]\displaystyle{ \AA }[/math].
Related Tags and Sections
ML_LMLFF, ML_RCUT1, ML_W1, ML_SION1, ML_SION2