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 $r = r_{i} - r_{origin}$.
| Keyword | Parameters | Description |
|---|---|---|
Harmonic |
k |
Simple harmonic well potential$$ E_{ij} = \frac{1}{2} k r^2 $$ $$ F_{ij} = -k r $$ |
Last modified July 11, 2023: 1495 Update Docs 1.3 (#1517) (85355211f)