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ML FF IBROAD2 MB

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ML_FF_IBROAD2_MB = [integer]
Default: ML_FF_IBROAD2_MB = 2 

Description: This tag specifies the width of the Gaussian functions used for broadening the atomic distributions of the angular descriptor within the machine learning force field method.


This tag is only set if ML_FF_IBROAD2_MB is not equal 1.

Related Tags and Sections

ML_FF_LMLFF, ML_FF_IBROAD1_MB, ML_FF_IBROAD1_MB, ML_FF_IBROAD2_MB

Examples that use this tag