coulomb_mc.mc_direct module

Functionality related to direct interactions between charges.

class coulomb_mc.mc_direct.DirectCommon(positions, charges, domain, boundary_condition, r, subdivision, dat_cells, dat_gids, state_handler)

Bases: coulomb_mc.mc_common.MCCommon

accept(move)

get_lib_combined_args(px, pos, ptr_new_position, old_energy, new_energy, old_time_taken, new_time_taken)

get_new_energy(px, pos)

get_old_energy(px)

initialise()