sarkas.potentials.qsp.kelbg_force

sarkas.potentials.qsp.kelbg_force(r_in, pot_matrix)

Calculates the QSP Force between two particles when the pppm algorithm is chosen.

Parameters

• r_in (float) – Distance between two particles.

• pot_matrix (numpy.ndarray) – It contains potential dependent variables.

  Shape = (6, sarkas.core.Parameters.num_species, sarkas.core.Parameters.num_species)

Returns

• u_r (float) – Potential.

• force (float) – Force between two particles.