mc_lj_potential.MCState.calculate_unit_energy

MCState.calculate_unit_energy()

Computes the unit energy per particle in the system.

Parameters

• total_pair_energy (float) – Total pair energy calculated by calculate_total_pair_energy().

• tail_correction (float) – Tail correction calculated by calculate_tail_correction()

Returns

unit_energy – The total unit energy per particle.

Return type

float