FBIAS_A

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Revision as of 14:43, 14 April 2023 by Tbucko (talk | contribs)

FBIAS_A = [real (array)] 

Description: The flag FBIAS_A defines the size of step () 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 are . The number of items defined via FBIAS_A must be equal to , otherwise the calculation terminates with an error message.


Related tags and articles

FBIAS_R0 FBIAS_D ICONST Biased molecular dynamics