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 | {{DEF|ML_FF_SION1_MB|0.5}} | ||
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. | ||
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The unit of {{TAG|ML_FF_SION1_MB}} is in <math>\AA</math>. This tag is only set if {{TAG|ML_FF_IBROAD1_MB}} is not equal 1 (not default). | |||
== Related Tags and Sections == | == Related Tags and Sections == | ||
Revision as of 10:11, 16 November 2020
ML_FF_SION1_MB = [real]
| Default: ML_FF_SION1_MB | = 0.5 | {{{3}}} |
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