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Difference between revisions of "ML FF LNORM1 MB"

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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]]
[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]]

Latest revision as of 15:19, 29 February 2020

ML_FF_LNORM1_MB = [logical]
Default: ML_FF_LNORM1_MB = .FALSE. 

Description: This tag specifies whether the radial descriptor is normalized (by dividing through it's norm) or not.

The default setting is to avoid radial descriptors (to enable it ML_FF_W1_MB=.TRUE. has to be set). If radial descriptors are used the default is to use unnormalized descriptors.

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Examples that use this tag