Expand description
Interactions as a function of one variable.
Structs§
- Boxcar
- Constant valued potential in a given range of
r(not differentiable). - Expanded
- Expand another potential.
- Harmonic
- Quadratic potential well centered at a given separation distance.
- Harmonic
Repulsion - Repulsive half of a quadratic potential well.
- Lennard
Jones - Potential with a steep repulsive core and an attractive well.
- Lennard
Jones Gauss - Double-well potential with a steep repulsive core
- Overlap
Penalty - Monotonically non-decreasing potential to push sites apart (not differentiable).
- Shifted
- Shift another potential to 0 at a given
r. - Weeks
Chandler Anderson - Potential with a steep repulsive core.
- Xplor
- Smoothly shift a potential (and its force) to 0 at some
r_cut, beginning atr_smooth.
Traits§
- Univariate
Energy - Computes energy as a function of one variable.
- Univariate
Force - Computes force as a function of one variable.