BondedCoulomb Struct Reference

Parameters for Coulomb bond Potential. More...

#include <bonded_coulomb.hpp>

Public Member Functions
double	cutoff () const
	BondedCoulomb (double prefactor)
std::optional< Utils::Vector3d >	force (double q1q2, Utils::Vector3d const &dx) const
	Compute the bonded Coulomb pair force.
std::optional< double >	energy (double q1q2, Utils::Vector3d const &dx) const
	Compute the bonded Coulomb pair energy.

Public Attributes
double	prefactor
	Coulomb prefactor.

Static Public Attributes
static constexpr int	num = 1

Detailed Description

Parameters for Coulomb bond Potential.

Definition at line 37 of file bonded_coulomb.hpp.

Constructor & Destructor Documentation

BondedCoulomb()

BondedCoulomb::BondedCoulomb ( double  prefactor )

inline

Definition at line 45 of file bonded_coulomb.hpp.

References prefactor.

Member Function Documentation

cutoff()

double BondedCoulomb::cutoff ( ) const

inline

Definition at line 41 of file bonded_coulomb.hpp.

energy()

std::optional< double > BondedCoulomb::energy ( double  q1q2, Utils::Vector3d const &  dx  ) const

inline

Compute the bonded Coulomb pair energy.

Parameters

[in]	q1q2	Product of the particle charges.
[in]	dx	Distance between the particles.

Definition at line 73 of file bonded_coulomb.hpp.

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

force()

std::optional< Utils::Vector3d > BondedCoulomb::force ( double  q1q2, Utils::Vector3d const &  dx  ) const

inline

Compute the bonded Coulomb pair force.

Parameters

[in]	q1q2	Product of the particle charges.
[in]	dx	Distance between the particles.

Definition at line 57 of file bonded_coulomb.hpp.

References Utils::Vector< T, N >::norm2(), and prefactor.

Member Data Documentation

num

constexpr int BondedCoulomb::num = 1

staticconstexpr

Definition at line 43 of file bonded_coulomb.hpp.

prefactor

double BondedCoulomb::prefactor

Coulomb prefactor.

Definition at line 39 of file bonded_coulomb.hpp.

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

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

• bonded_coulomb.hpp