OPP¶
- class hoomd.hpmc.pair.OPP(default_r_cut=None, default_r_on=0.0, mode='none')¶
Bases:
PairOscillating pair potential (HPMC).
- Parameters:
OPPcomputes the oscillating pair potential between every pair of particles in the simulation state. The functional form of the potential, including its behavior under shifting modes, is identical to that in the MD pair potentialhoomd.md.pair.OPP.Example
opp = hoomd.hpmc.pair.OPP() opp.params[("A", "A")] = dict( C1=1.0, C2=1.0, eta1=15, eta2=3, k=1.0, phi=3.14, r_cut=3.0, ) simulation.operations.integrator.pair_potentials = [opp]
Members inherited from
Pair:- property energy¶
Potential energy contributed by this potential \([\mathrm{energy}]\).
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Members defined in
OPP:- params¶
The potential parameters. The dictionary has the following keys:
C1(float, required) - Energy scale of the first term \(C_1\) \([\mathrm{energy}]\).C2(float, required) - Energy scale of the second term \(C_2\) \([\mathrm{energy}]\)eta1(float, required) - The inverse power to take \(r\) to in the first term, \(\eta_1\) \([\mathrm{dimensionless}]\).eta2(float, required) - The inverse power to take \(r\) to in the second term \(\eta_2\) \([\mathrm{dimensionless}]\).k(float, required) - oscillation frequency \(k\) \([\mathrm{length}^{-1}]\)phi(float, required) - potential phase shift \(\phi\) \([\mathrm{dimensionless}]\)r_cut(float): Cutoff radius \([\mathrm{length}]\). Defaults to the value given indefault_r_cuton construction.r_on(float): XPLOR on radius \([\mathrm{length}]\). Defaults to the value given indefault_r_onon construction.
Type:
TypeParameter[tuple[particle_type,particle_type],dict]