sarkas.potentials.force_pm.mesh_point_shift#

sarkas.potentials.force_pm.mesh_point_shift(cao)[source]#

Calculate the required shift based on the parity of the charge assignment orders.

Parameters

cao (numpy.ndarray) – Charge assignment order per direction.

Returns

  • mid (numpy.ndarray) – Midpoint shift if cao is even, otherwise no shift.

  • pshift (numpy.ndarray) – Shift to the closest mesh point.