FBIAS_R0

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Revision as of 06:08, 24 April 2023 by Huebsch (talk | contribs)

FBIAS_R0 = [real (array)] 

Description: Defines the half-step position () for 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 units of correspond to units of the coordinate the potential acts upon (e.g., for coordinates with flag R, for coordinates with flag A, dimensionless for coordinates with flag W, etc...). The number of items defined via FBIAS_R0 must be equal to , otherwise the calculation terminates with an error message.


Related tags and articles

FBIAS_A, FBIAS_D, ICONST, Biased molecular dynamics