65class System :
public std::enable_shared_from_this<System> {
73 static std::shared_ptr<System> create();
84 void set_time_step(
double value);
90 void set_sim_time(
double value);
96 void set_force_cap(
double value);
102 void set_min_global_cut(
double value);
112 void tune_verlet_skin(
double min_skin,
double max_skin,
double tol,
113 int int_steps,
bool adjust_max_skin);
119 void rebuild_cell_structure();
122 double maximal_cutoff()
const;
125 double get_interaction_range()
const;
127 unsigned get_global_ghost_flags()
const;
132 bool long_range_interactions_sanity_checks()
const;
135 std::shared_ptr<Observable_stat> calculate_energy();
138 std::shared_ptr<Observable_stat> calculate_pressure();
141 void calculate_forces();
143#ifdef DIPOLE_FIELD_TRACKING
145 void calculate_long_range_fields();
157 double particle_short_range_energy_contribution(
int pid);
191 int integrate(
int n_steps,
int reuse_forces);
193 int integrate_with_signal_handler(
int n_steps,
int reuse_forces,
194 bool update_accumulators);
197 void thermostat_force_init();
199 void lb_couple_particles(
double time_step);
214 void on_boxl_change(
bool skip_method_adaption =
false);
215 void on_node_grid_change();
216 void on_periodicity_change();
217 void on_cell_structure_change();
218 void on_thermostat_param_change();
219 void on_temperature_change();
220 void on_verlet_skin_change();
221 void on_timestep_change();
222 void on_integration_start();
223 void on_short_range_ia_change();
224 void on_non_bonded_ia_change();
225 void on_coulomb_change();
226 void on_dipoles_change();
228 void on_constraint_change();
232 void on_lb_boundary_conditions_change();
234 void on_particle_local_change();
236 void on_particle_change();
238 void on_particle_charge_change();
243 void on_observable_calc();
244 void veto_boxl_change(
bool skip_particle_checks =
false)
const;
251 void update_dependent_particles();
255 void update_used_propagations();
259 void check_kT(
double value)
const;
293 void update_local_geo();
295 void update_icc_particles();
303 void integrator_sanity_checks()
const;
Particle data communication manager for the GPU.