sarkas.potentials.force_pp.update#

sarkas.potentials.force_pp.update(pos, vel, p_id, p_mass, box_lengths, rc, potential_matrix, force, measure, rdf_hist)[source]#

Update the force on the particles based on a linked cell-list (LCL) algorithm.

Parameters

  • pos (numpy.ndarray) – Particles’ positions.

  • vel (numpy.ndarray) – Velocity of each particle.

  • p_id (numpy.ndarray) – Id of each particle

  • force (func) – Potential and force values.

  • potential_matrix (numpy.ndarray) – Potential parameters.

  • rc (float) – Cut-off radius.

  • box_lengths (numpy.ndarray) – Array of box sides’ length.

  • p_mass (numpy.ndarray) – Mass of each particle.

measurebool

Boolean for rdf calculation.

rdf_histnumpy.ndarray

Radial Distribution function array.

Returns

  • U_s_r (float) – Short-ranged component of the potential energy of the system.

  • acc_s_r (numpy.ndarray) – Short-ranged component of the acceleration for the particles.

  • virial_species_tensor (numpy.ndarray) – Virial term of each particle.

    Shape = (3, 3, pos.shape[0])