aniso

Anisotropic pair force classes apply a force, torque, and virial on every particle in the simulation state commensurate with the potential energy:

Upair,total=12∑i=0Nparticles−1∑j≠i,(i,j)∉exclusionsUpair(rij,qi,qj)U_\mathrm{pair,total} = \frac{1}{2} \sum_{i=0}^\mathrm{N_particles-1} \sum_{j \ne i, (i,j) \notin \mathrm{exclusions}} U_\mathrm{pair}(r_{ij}, \mathbf{q}_i, \mathbf{q}_j)

AnisotropicPair applies cuttoffs, exclusions, and assigns per particle energies and virials in the same manner as hoomd.md.pair.Pair

AnisotropicPair does not support the 'xplor' shifting mode or the r_on parameter.

Classes