FBIAS_D

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Revision as of 06:27, 24 April 2023 by Huebsch (talk | contribs)

FBIAS_D = [real (array)] 

Description: Sets the slope of the bias potential.


FBIAS_D defines the parameter , which controls the slope of the central part of the Fermi-like step-shaped bias potential of the following form:

where the sum runs over all () coordinates the potential acts upon, which are defined in the ICONST-file by setting the status to 4. The parameters are dimensionless. The number of items defined via FBIAS_D must equal to , otherwise the calculation terminates with an error message.

Related tags and articles

FBIAS_R0, FBIAS_A, ICONST, Biased molecular dynamics