sarkas.potentials.force_pp.calculate_heat_flux#

sarkas.potentials.force_pp.calculate_heat_flux(pos, vel, p_id, box_lengths, rc, potential_matrix, force)[source]#

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

Parameters

  • pos (numpy.ndarray) – Particles’ positions. Shape = ((N,3)).

  • vel (array) – Velocity of each particle. Shape = ((N,3)).

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

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

  • rc (float) – Cut-off radius.

  • potential_matrix (array) – Potential parameters.

  • force (tuple, float) – Potential and force values.

Returns

j_e (numpy.ndarray) – Part of the energy current. Shape = ((3, N))