Propagation Class Reference

#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.

Detailed Description

Definition at line 26 of file Propagation.hpp.

Member Function Documentation

set_integ_switch()

void Propagation::set_integ_switch ( int  value )

inline

Definition at line 45 of file Propagation.hpp.

References integ_switch, and recalc_forces.

should_propagate_with()

template<typename Particle >

bool Propagation::should_propagate_with ( Particle const &  p, int  mode  ) const

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().

update_default_propagation()

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.

Member Data Documentation

default_propagation

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().

ek_skipped_md_steps

int Propagation::ek_skipped_md_steps = 0

Definition at line 32 of file Propagation.hpp.

integ_switch

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().

lb_skipped_md_steps

int Propagation::lb_skipped_md_steps = 0

Definition at line 31 of file Propagation.hpp.

recalc_forces

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().

used_propagations

int Propagation::used_propagations = PropagationMode::NONE

Definition at line 29 of file Propagation.hpp.

Referenced by integrator_step_1(), and integrator_step_2().

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The documentation for this class was generated from the following files:

• Propagation.hpp
• integrate.cpp