QuarticBond Struct Reference

Parameters for quartic bond Potential. More...

#include <quartic.hpp>

Public Member Functions
double	cutoff () const
	QuarticBond (double k0, double k1, double r, double r_cut)
boost::optional< Utils::Vector3d >	force (Utils::Vector3d const &dx) const
	Compute the quartic bond force.
boost::optional< double >	energy (Utils::Vector3d const &dx) const
	Compute the quartic bond energy.

Public Attributes
double	k0
double	k1
double	r
double	r_cut

Static Public Attributes
static constexpr int	num = 1

Detailed Description

Parameters for quartic bond Potential.

Definition at line 36 of file quartic.hpp.

Constructor & Destructor Documentation

QuarticBond()

QuarticBond::QuarticBond ( double  k0, double  k1, double  r, double  r_cut  )

inline

Definition at line 45 of file quartic.hpp.

References k0, k1, r, and r_cut.

Member Function Documentation

cutoff()

double QuarticBond::cutoff ( ) const

inline

Definition at line 41 of file quartic.hpp.

References r_cut.

energy()

boost::optional< double > QuarticBond::energy ( Utils::Vector3d const &  dx ) const

inline

Compute the quartic bond energy.

Parameters

[in]

dx

Distance between the particles.

Definition at line 95 of file quartic.hpp.

References k0, k1, Utils::Vector< T, N >::norm(), r, r_cut, and Utils::sqr().

force()

boost::optional< Utils::Vector3d > QuarticBond::force ( Utils::Vector3d const &  dx ) const

inline

Compute the quartic bond force.

Parameters

[in]

dx

Distance between the particles.

Definition at line 70 of file quartic.hpp.

References dr, k0, k1, Utils::Vector< T, N >::norm(), r, r_cut, ROUND_ERROR_PREC, and runtimeErrorMsg.

Member Data Documentation

k0

double QuarticBond::k0

Definition at line 37 of file quartic.hpp.

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

k1

double QuarticBond::k1

Definition at line 37 of file quartic.hpp.

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

num

constexpr int QuarticBond::num = 1

staticconstexpr

Definition at line 43 of file quartic.hpp.

r

double QuarticBond::r

Definition at line 38 of file quartic.hpp.

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

r_cut

double QuarticBond::r_cut

Definition at line 39 of file quartic.hpp.

Referenced by cutoff(), energy(), force(), and QuarticBond().

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

• quartic.hpp