LJcos_Parameters Struct Reference

Lennard-Jones+Cos potential. More...

#include <nonbonded_interaction_data.hpp>

Public Member Functions
	LJcos_Parameters ()=default
	LJcos_Parameters (double epsilon, double sigma, double cutoff, double offset)
double	max_cutoff () const

Public Attributes
double	eps = 0.0
double	sig = 0.0
double	cut = INACTIVE_CUTOFF
double	offset = 0.0
double	alfa = 0.0
double	beta = 0.0
double	rmin = 0.0

Detailed Description

Lennard-Jones+Cos potential.

Definition at line 206 of file nonbonded_interaction_data.hpp.

Constructor & Destructor Documentation

LJcos_Parameters() [1/2]

LJcos_Parameters::LJcos_Parameters ( )

default

LJcos_Parameters() [2/2]

LJcos_Parameters::LJcos_Parameters	(	double	epsilon,
		double	sigma,
		double	cutoff,
		double	offset
	)

Definition at line 35 of file ljcos.cpp.

References alfa, beta, Utils::cbrt_2(), cut, Utils::pi(), rmin, sig, and Utils::sqr().

Member Function Documentation

max_cutoff()

double LJcos_Parameters::max_cutoff ( ) const

inline

Definition at line 216 of file nonbonded_interaction_data.hpp.

References cut, and offset.

Referenced by recalc_maximal_cutoff().

Member Data Documentation

alfa

double LJcos_Parameters::alfa = 0.0

Definition at line 211 of file nonbonded_interaction_data.hpp.

Referenced by ljcos_pair_energy(), ljcos_pair_force_factor(), and LJcos_Parameters().

beta

double LJcos_Parameters::beta = 0.0

Definition at line 212 of file nonbonded_interaction_data.hpp.

Referenced by ljcos_pair_energy(), ljcos_pair_force_factor(), and LJcos_Parameters().

cut

double LJcos_Parameters::cut = INACTIVE_CUTOFF

Definition at line 209 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionLJcos::InteractionLJcos(), ljcos_pair_energy(), ljcos_pair_force_factor(), LJcos_Parameters(), and max_cutoff().

eps

double LJcos_Parameters::eps = 0.0

Definition at line 207 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionLJcos::InteractionLJcos(), ljcos_pair_energy(), and ljcos_pair_force_factor().

offset

double LJcos_Parameters::offset = 0.0

Definition at line 210 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionLJcos::InteractionLJcos(), ljcos_pair_energy(), ljcos_pair_force_factor(), and max_cutoff().

rmin

double LJcos_Parameters::rmin = 0.0

Definition at line 213 of file nonbonded_interaction_data.hpp.

Referenced by ljcos_pair_energy(), ljcos_pair_force_factor(), and LJcos_Parameters().

sig

double LJcos_Parameters::sig = 0.0

Definition at line 208 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionLJcos::InteractionLJcos(), ljcos_pair_energy(), ljcos_pair_force_factor(), and LJcos_Parameters().

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

• nonbonded_interaction_data.hpp
• ljcos.cpp