ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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#include <Propagation.hpp>
Public Member Functions | |
void | update_default_propagation (int thermo_switch) |
template<typename Particle > | |
bool | should_propagate_with (Particle const &p, int mode) const |
void | set_integ_switch (int value) |
Public Attributes | |
int | integ_switch = INTEG_METHOD_NVT |
int | used_propagations = PropagationMode::NONE |
int | default_propagation = PropagationMode::NONE |
int | lb_skipped_md_steps = 0 |
int | ek_skipped_md_steps = 0 |
bool | recalc_forces = true |
If true, forces will be recalculated before the next integration. | |
Definition at line 26 of file Propagation.hpp.
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inline |
Definition at line 45 of file Propagation.hpp.
References integ_switch, and recalc_forces.
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inline |
Definition at line 39 of file Propagation.hpp.
References default_propagation, Particle::propagation(), and PropagationMode::SYSTEM_DEFAULT.
Referenced by integrator_step_1(), and integrator_step_2().
void Propagation::update_default_propagation | ( | int | thermo_switch | ) |
Definition at line 130 of file integrate.cpp.
References default_propagation, INTEG_METHOD_BD, INTEG_METHOD_NPT_ISO, INTEG_METHOD_NVT, INTEG_METHOD_SD, INTEG_METHOD_STEEPEST_DESCENT, integ_switch, PropagationMode::NONE, PropagationMode::ROT_BROWNIAN, PropagationMode::ROT_EULER, PropagationMode::ROT_LANGEVIN, THERMO_LANGEVIN, THERMO_LB, PropagationMode::TRANS_BROWNIAN, PropagationMode::TRANS_LANGEVIN, PropagationMode::TRANS_LANGEVIN_NPT, PropagationMode::TRANS_LB_MOMENTUM_EXCHANGE, PropagationMode::TRANS_NEWTON, and PropagationMode::TRANS_STOKESIAN.
int Propagation::default_propagation = PropagationMode::NONE |
Definition at line 30 of file Propagation.hpp.
Referenced by integrator_step_1(), integrator_step_2(), should_propagate_with(), and update_default_propagation().
int Propagation::ek_skipped_md_steps = 0 |
Definition at line 32 of file Propagation.hpp.
int Propagation::integ_switch = INTEG_METHOD_NVT |
Definition at line 28 of file Propagation.hpp.
Referenced by integrator_step_1(), integrator_step_2(), set_integ_switch(), and update_default_propagation().
int Propagation::lb_skipped_md_steps = 0 |
Definition at line 31 of file Propagation.hpp.
bool Propagation::recalc_forces = true |
If true, forces will be recalculated before the next integration.
Definition at line 34 of file Propagation.hpp.
Referenced by set_integ_switch().
int Propagation::used_propagations = PropagationMode::NONE |
Definition at line 29 of file Propagation.hpp.
Referenced by integrator_step_1(), and integrator_step_2().