ThermalizedBond Struct Reference

Parameters for Thermalized bond. More...

#include <thermalized_bond.hpp>

Public Member Functions
double	cutoff () const
	ThermalizedBond (double temp_com, double gamma_com, double temp_distance, double gamma_distance, double r_cut)
void	recalc_prefactors (double time_step)
void	set_thermostat_view (std::weak_ptr< Thermostat::Thermostat const > const &thermostat)
void	unset_thermostat_view ()
std::optional< std::tuple< Utils::Vector3d, Utils::Vector3d > >	forces (Particle const &p1, Particle const &p2, Utils::Vector3d const &dx) const
	Separately thermalizes the com and distance of a particle pair.

Public Attributes
double	temp_com
double	gamma_com
double	temp_distance
double	gamma_distance
double	r_cut
double	pref1_com
double	pref2_com
double	pref1_dist
double	pref2_dist

Static Public Attributes
static constexpr int	num = 1

Detailed Description

Parameters for Thermalized bond.

Definition at line 43 of file thermalized_bond.hpp.

Constructor & Destructor Documentation

ThermalizedBond()

ThermalizedBond::ThermalizedBond ( double  temp_com, double  gamma_com, double  temp_distance, double  gamma_distance, double  r_cut  )

inline

Definition at line 58 of file thermalized_bond.hpp.

References gamma_com, gamma_distance, pref1_com, pref1_dist, pref2_com, pref2_dist, r_cut, temp_com, and temp_distance.

Member Function Documentation

cutoff()

double ThermalizedBond::cutoff ( ) const

inline

Definition at line 54 of file thermalized_bond.hpp.

References r_cut.

forces()

std::optional< std::tuple< Utils::Vector3d, Utils::Vector3d > > ThermalizedBond::forces ( Particle const &  p1, Particle const &  p2, Utils::Vector3d const &  dx  ) const

inline

Separately thermalizes the com and distance of a particle pair.

Parameters

[in]	p1	First particle.
[in]	p2	Second particle.
[in]	dx	Distance between the particles.

Returns

the forces on p1 and p2

Definition at line 43 of file thermalized_bond_kernel.hpp.

References Particle::id(), Particle::mass(), Utils::Vector< T, N >::norm(), pref1_com, pref1_dist, pref2_com, pref2_dist, r_cut, and Particle::v().

recalc_prefactors()

void ThermalizedBond::recalc_prefactors ( double  time_step )

inline

Definition at line 72 of file thermalized_bond.hpp.

References gamma_com, gamma_distance, pref1_com, pref1_dist, pref2_com, pref2_dist, temp_com, and temp_distance.

set_thermostat_view()

void ThermalizedBond::set_thermostat_view ( std::weak_ptr< Thermostat::Thermostat const > const &  thermostat )

inline

Definition at line 79 of file thermalized_bond.hpp.

unset_thermostat_view()

void ThermalizedBond::unset_thermostat_view ( )

inline

Definition at line 84 of file thermalized_bond.hpp.

Member Data Documentation

gamma_com

double ThermalizedBond::gamma_com

Definition at line 45 of file thermalized_bond.hpp.

Referenced by recalc_prefactors(), and ThermalizedBond().

gamma_distance

double ThermalizedBond::gamma_distance

Definition at line 47 of file thermalized_bond.hpp.

Referenced by recalc_prefactors(), and ThermalizedBond().

num

constexpr int ThermalizedBond::num = 1

staticconstexpr

Definition at line 56 of file thermalized_bond.hpp.

pref1_com

double ThermalizedBond::pref1_com

Definition at line 49 of file thermalized_bond.hpp.

Referenced by forces(), recalc_prefactors(), and ThermalizedBond().

pref1_dist

double ThermalizedBond::pref1_dist

Definition at line 51 of file thermalized_bond.hpp.

Referenced by forces(), recalc_prefactors(), and ThermalizedBond().

pref2_com

double ThermalizedBond::pref2_com

Definition at line 50 of file thermalized_bond.hpp.

Referenced by forces(), recalc_prefactors(), and ThermalizedBond().

pref2_dist

double ThermalizedBond::pref2_dist

Definition at line 52 of file thermalized_bond.hpp.

Referenced by forces(), recalc_prefactors(), and ThermalizedBond().

r_cut

double ThermalizedBond::r_cut

Definition at line 48 of file thermalized_bond.hpp.

Referenced by cutoff(), forces(), and ThermalizedBond().

temp_com

double ThermalizedBond::temp_com

Definition at line 44 of file thermalized_bond.hpp.

Referenced by recalc_prefactors(), and ThermalizedBond().

temp_distance

double ThermalizedBond::temp_distance

Definition at line 46 of file thermalized_bond.hpp.

Referenced by recalc_prefactors(), and ThermalizedBond().

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

• thermalized_bond.hpp
• thermalized_bond_kernel.hpp