Restraint Potential Functions

Functional forms for restraint potentials

Below are listed the interaction forms available for restraining potentials acting on individual atoms. All functional forms have an implied origin / reference coordinate defined by some other means (e.g. specified when adding additional potentials to configurations) with r=rirorigin.

Keyword Parameters Description
Harmonic k Simple harmonic well potentialEij=12kr2 Fij=kr
Last modified July 11, 2023: 1495 Update Docs 1.3 (#1517) (85355211f)