hoomd.hpmc.pair

Pair Potentials for Monte Carlo.

Define \(U_{\mathrm{pair},ij}\) for use with hoomd.hpmc.integrate.HPMCIntegrator. Assign a pair potential instance to hpmc.integrate.HPMCIntegrator.pair_potential to activate the potential.

Modules

• hoomd.hpmc.pair.user
  • CPPPotentialBase
  • CPPPotential
    • CPPPotential.code
    • CPPPotential.param_array
    • CPPPotential.energy
  • CPPPotentialUnion
    • CPPPotentialUnion.positions
    • CPPPotentialUnion.orientations
    • CPPPotentialUnion.diameters
    • CPPPotentialUnion.charges
    • CPPPotentialUnion.typeids
    • CPPPotentialUnion.leaf_capacity
    • CPPPotentialUnion.code_constituent
    • CPPPotentialUnion.code_isotropic
    • CPPPotentialUnion.param_array_isotropic
    • CPPPotentialUnion.param_array_constituent
    • CPPPotentialUnion.energy