coulomb_mc.mc_fmm module

This module implements protype code for the implementation. For production use see the MCFMM_LM class.

class coulomb_mc.mc_fmm.MCFMM(positions, charges, domain, boundary_condition, r, l)

Bases: coulomb_mc.mc_common.MCCommon

accept(move, energy_diff=None)

free()

initialise()

propose(move)

Get the energy difference of a proposed move.

Parameters

• move – Tuple (id, new_position) that represents the proposed move.

• use_one_call – Bool (default True) that chooses between multiple library calls or the agregated call.