sarkas.potentials.yukawa.yukawa_force_pppm

sarkas.potentials.yukawa.yukawa_force_pppm(r_in, pot_matrix)

Numba’d function to calculate Potential and 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 = (4, sarkas.core.Parameters.num_species, sarkas.core.Parameters.num_species)

Returns

• u_r (float) – Potential value

• f_r (float) – Force between two particles calculated using eq.(22) in [Dharuman et al., 2017].

Examples

>>> import numpy as np
>>> r = 2.0
>>> pot_matrix = np.array([ 1.0, 0.5, 0.25,  0.0001])
>>> yukawa_force_pppm(r, pot_matrix)
(0.16287410244138842, 0.18025091684402375)