BondedCoulombSR Struct Reference

Parameters for Coulomb bond short-range Potential. More...

#include <bonded_coulomb_sr.hpp>

Public Member Functions
double	cutoff () const
	BondedCoulombSR (double q1q2)
boost::optional< Utils::Vector3d >	force (Utils::Vector3d const &dx, std::function< Utils::Vector3d(double, Utils::Vector3d const &, double)> const &kernel) const
	Compute the short-range bonded Coulomb pair force.
boost::optional< double >	energy (Particle const &p1, Particle const &p2, Utils::Vector3d const &dx, std::function< double(Particle const &, Particle const &, double, Utils::Vector3d const &, double)> const &kernel) const
	Compute the short-range bonded Coulomb pair energy.

Public Attributes
double	q1q2
	charge factor

Static Public Attributes
static constexpr int	num = 1

Detailed Description

Parameters for Coulomb bond short-range Potential.

Definition at line 42 of file bonded_coulomb_sr.hpp.

Constructor & Destructor Documentation

BondedCoulombSR()

BondedCoulombSR::BondedCoulombSR ( double  q1q2 )

inline

Definition at line 50 of file bonded_coulomb_sr.hpp.

References q1q2.

Member Function Documentation

cutoff()

double BondedCoulombSR::cutoff ( ) const

inline

Definition at line 46 of file bonded_coulomb_sr.hpp.

energy()

boost::optional< double > BondedCoulombSR::energy ( Particle const &  p1, Particle const &  p2, Utils::Vector3d const &  dx, std::function< double(Particle const &, Particle const &, double, Utils::Vector3d const &, double)> const &  kernel  ) const

inline

Compute the short-range bonded Coulomb pair energy.

Parameters

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

Definition at line 91 of file bonded_coulomb_sr.hpp.

References Utils::Vector< T, N >::norm(), and q1q2.

force()

boost::optional< Utils::Vector3d > BondedCoulombSR::force ( Utils::Vector3d const &  dx, std::function< Utils::Vector3d(double, Utils::Vector3d const &, double)> const &  kernel  ) const

inline

Compute the short-range bonded Coulomb pair force.

Parameters

[in]	dx	Distance between the particles.
[in]	kernel	Coulomb force kernel.

Definition at line 74 of file bonded_coulomb_sr.hpp.

References Utils::Vector< T, N >::norm(), and q1q2.

Member Data Documentation

num

constexpr int BondedCoulombSR::num = 1

staticconstexpr

Definition at line 48 of file bonded_coulomb_sr.hpp.

q1q2

double BondedCoulombSR::q1q2

charge factor

Definition at line 44 of file bonded_coulomb_sr.hpp.

Referenced by BondedCoulombSR(), energy(), and force().

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

• bonded_coulomb_sr.hpp