add_reaction(std::shared_ptr< SingleReaction > const &new_reaction) | ReactionMethods::ReactionAlgorithm | |
all_reactant_particles_exist(SingleReaction const ¤t_reaction) const | ReactionMethods::ReactionAlgorithm | protected |
calculate_particle_insertion_potential_energy(int reaction_id) | ReactionMethods::WidomInsertion | inline |
calculate_potential_energy() const | ReactionMethods::ReactionAlgorithm | |
charges_of_types | ReactionMethods::ReactionAlgorithm | |
clear_old_system_state() | ReactionMethods::ReactionAlgorithm | inlineprotected |
create_new_trial_state(int reaction_id) | ReactionMethods::ReactionAlgorithm | |
delete_particle(int p_id) | ReactionMethods::ReactionAlgorithm | |
delete_reaction(int reaction_id) | ReactionMethods::ReactionAlgorithm | inline |
displacement_mc_move(int type, int n_particles) | ReactionMethods::ReactionAlgorithm | protected |
exclusion_radius_per_type | ReactionMethods::ReactionAlgorithm | |
exclusion_range | ReactionMethods::ReactionAlgorithm | |
get_acceptance_rate_configurational_moves() const | ReactionMethods::ReactionAlgorithm | inline |
get_exclusion_range() const | ReactionMethods::ReactionAlgorithm | inline |
get_kT() const | ReactionMethods::ReactionAlgorithm | inline |
get_old_system_state() const | ReactionMethods::ReactionAlgorithm | inline |
get_random_position_in_box() | ReactionMethods::ReactionAlgorithm | protected |
get_slab_constraint_parameters() const | ReactionMethods::ReactionAlgorithm | inline |
get_volume() const | ReactionMethods::ReactionAlgorithm | inline |
i_random(int maxint) | ReactionMethods::ReactionAlgorithm | inline |
is_reaction_under_way() const | ReactionMethods::ReactionAlgorithm | inline |
kT | ReactionMethods::ReactionAlgorithm | |
m_accepted_configurational_MC_moves | ReactionMethods::ReactionAlgorithm | |
m_empty_p_ids_smaller_than_max_seen_particle | ReactionMethods::ReactionAlgorithm | protected |
m_system_changes | ReactionMethods::ReactionAlgorithm | protected |
m_tried_configurational_MC_moves | ReactionMethods::ReactionAlgorithm | |
make_displacement_mc_move_attempt(int type, int n_particles) | ReactionMethods::ReactionAlgorithm | |
make_new_system_state() | ReactionMethods::ReactionAlgorithm | inlineprotected |
make_reaction_attempt(::ReactionMethods::SingleReaction const &reaction, ParticleChanges &bookkeeping) | ReactionMethods::ReactionAlgorithm | protected |
make_reaction_mc_move_attempt(int reaction_id, double bf, double E_pot_old, double E_pot_new) | ReactionMethods::ReactionAlgorithm | |
neighbor_search_order_n | ReactionMethods::ReactionAlgorithm | |
non_interacting_type | ReactionMethods::ReactionAlgorithm | |
particle_inside_exclusion_range_touched | ReactionMethods::ReactionAlgorithm | |
ReactionAlgorithm(boost::mpi::communicator const &comm, int seed, double kT, double exclusion_range, std::unordered_map< int, double > const &exclusion_radius_per_type) | ReactionMethods::ReactionAlgorithm | inline |
reactions | ReactionMethods::ReactionAlgorithm | |
remove_constraint() | ReactionMethods::ReactionAlgorithm | inline |
restore_old_system_state() | ReactionMethods::ReactionAlgorithm | protected |
set_cyl_constraint(double center_x, double center_y, double radius) | ReactionMethods::ReactionAlgorithm | |
set_exclusion_radius_per_type(std::unordered_map< int, double > const &map) | ReactionMethods::ReactionAlgorithm | inline |
set_slab_constraint(double slab_start_z, double slab_end_z) | ReactionMethods::ReactionAlgorithm | |
set_volume(double new_volume) | ReactionMethods::ReactionAlgorithm | inline |
setup_bookkeeping_of_empty_pids() | ReactionMethods::ReactionAlgorithm | |
update_volume() | ReactionMethods::ReactionAlgorithm | |
volume | ReactionMethods::ReactionAlgorithm | |
WidomInsertion(boost::mpi::communicator const &comm, int seed, double kT, double exclusion_range, const std::unordered_map< int, double > &exclusion_radius_per_type) | ReactionMethods::WidomInsertion | inline |
~ReactionAlgorithm()=default | ReactionMethods::ReactionAlgorithm | virtual |