ML LAFILT2: Difference between revisions
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Description: This tag specifies whether angular filtering is applied or not within the machine learning force field method. | Description: This tag specifies whether angular filtering is applied or not within the machine learning force field method. | ||
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For the desciption of the filters please see: {{TAG|ML_FF_IAFILT2_MB}}. | For the desciption of the filters please see: {{TAG|ML_FF_IAFILT2_MB}} and {{TAG|ML_FF_AFILT2_MB}}. | ||
The applied angular filter is also briefly described [[On-the-fly machine learning force field generation using Bayesian linear regression#Basis set expansion|here]]. | The applied angular filter is also briefly described [[On-the-fly machine learning force field generation using Bayesian linear regression#Basis set expansion|here]]. | ||
Revision as of 10:28, 16 July 2019
ML_FF_LAFILT2_MB = [logical]
Default: ML_FF_LAFILT2_MB = .FALSE.
Description: This tag specifies whether angular filtering is applied or not within the machine learning force field method.
For the desciption of the filters please see: ML_FF_IAFILT2_MB and ML_FF_AFILT2_MB.
The applied angular filter is also briefly described here.
Related Tags and Sections
ML_FF_LMLFF, ML_FF_IAFILT2_MB, ML_FF_AFILT2_MB