ML RCUT1

ML_RCUT1_MB = [real]
Default: ML_RCUT1_MB = 5.0 

Description: This flag sets the cutoff radius for the radial descriptor in the machine learning force field method.

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The unit of the cut-off radius is given in $\AA$. 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

Examples that use this tag

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