ML SION1: Difference between revisions
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{{TAGDEF|ML_FF_SION1_MB|[real]|0.75}} | {{TAGDEF|ML_FF_SION1_MB|[real]|0.75}} | ||
Description: This tag specifies the width of the Gaussian functions used for broadening the atomic distributions for the radial descriptor within the machine learning force field method. | Description: This tag specifies the width of the Gaussian functions used for broadening the atomic distributions for the radial descriptor within the machine learning force field method. | ||
Revision as of 10:12, 16 November 2020
ML_FF_SION1_MB = [real]
Default: ML_FF_SION1_MB = 0.75
Description: This tag specifies the width of the Gaussian functions used for broadening the atomic distributions for the radial descriptor within the machine learning force field method.
The unit of ML_FF_SION1_MB is in . This tag is only set if ML_FF_IBROAD1_MB is not equal 1 (not default).
Related Tags and Sections
ML_FF_LMLFF, ML_FF_SION2_MB, ML_FF_IBROAD1_MB, ML_FF_IBROAD2_MB