Pair

class hoomd.hpmc.pair.Pair

Pair potential base class (HPMC).

Pair potentials define energetic interactions between pairs of particles in hoomd.hpmc.integrate.HPMCIntegrator. Particles within a cutoff distance interact with an energy that is a function the type and orientation of the particles and the vector pointing from the i particle to the j particle center.

Note

The base class Pair implements common attributes (energy, for example) and may be used in for isinstance or issubclass checks. Pair should not be instantiated directly by users.

property energy

Potential energy contributed by this potential \([\mathrm{energy}]\).

Typically:

\[U = \sum_{i=0}^\mathrm{N_particles-1} \sum_{j=i+1}^\mathrm{N_particles-1} U_{\mathrm{pair},ij}\]

See hoomd.hpmc.integrate for the full expression which includes the evaluation over multiple images when the simulation box is small.

Example

logger.add(obj=pair, quantities=['energy'])

(Loggable: category=”scalar”)

Type:

float