jaxdem.forces.wca_shifted#

Classes

WCAShifted([laws])

Contact-start, force-shifted WCA/LJ repulsion.
class jaxdem.forces.wca_shifted.WCAShifted(laws: Tuple[ForceModel, ...] = ())[source]#

Bases: ForceModel

Contact-start, force-shifted WCA/LJ repulsion.

This model enforces that the interaction “begins” at contact:

  • cutoff at \(r_c = \sigma_{ij}\) where \(\sigma_{ij} = R_i + R_j\)

  • \(U(r_c) = 0\)

  • \(F(r_c) = 0\) (force-shifted; smooth turn-on at contact)

Uses material-pair parameter:

  • epsilon_eff[mi, mj]

static force(i: int, j: int, pos: jax.Array, state: State, system: System) → Tuple[jax.Array, jax.Array][source][source]#
static energy(i: int, j: int, pos: jax.Array, state: State, system: System) → jax.Array[source][source]#
property required_material_properties: Tuple[str, ...][source]#

A static tuple of strings specifying the material properties required by this force model.

These properties (e.g., ‘young_eff’, ‘restitution’, …) must be present in the System.mat_table for the model to function correctly. This is used for validation.