ML SION1: Difference between revisions
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This tag is only set if {{TAG|ML_FF_IBROAD1_MB}} is not equal 1. | This tag is only set if {{TAG|ML_FF_IBROAD1_MB}} is not equal 1. The unit of {{TAG|ML_FF_SION1_MB}} is in <math>\AA</math>. | ||
== Related Tags and Sections == | == Related Tags and Sections == | ||
Revision as of 18:00, 8 July 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. The unit of ML_FF_SION1_MB is in .
Related Tags and Sections
ML_FF_LMLFF, ML_FF_SION2_MB, ML_FF_IBROAD1_MB, ML_FF_IBROAD2_MB