ML SION1: Difference between revisions
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{{TAGDEF|ML_FF_SION1_MB|[real]}} | {{TAGDEF|ML_FF_SION1_MB|[real]}} | ||
{{DEF|ML_FF_SION1_MB|none|if {{TAG|ML_FF_IBROAD1_MB}}{{=}}1 | {{DEF|ML_FF_SION1_MB|none|if {{TAG|ML_FF_IBROAD1_MB}}{{=}}1|0.5|otherwise}} | ||
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 22:45, 4 June 2019
ML_FF_SION1_MB = [real]
| Default: ML_FF_SION1_MB | = none | if ML_FF_IBROAD1_MB=1 |
| = 0.5 | otherwise |
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.
This tag is only set if ML_FF_IBROAD1_MB is not equal 1.
Related Tags and Sections
ML_FF_LMLFF, ML_FF_SION2_MB, ML_FF_IBROAD1_MB, ML_FF_IBROAD2_MB