LJcos2_Parameters Struct Reference

Lennard-Jones with a different Cos potential. More...

#include <nonbonded_interaction_data.hpp>

Public Member Functions
	LJcos2_Parameters ()=default
	LJcos2_Parameters (double epsilon, double sigma, double offset, double width)
double	max_cutoff () const

Public Attributes
double	eps = 0.0
double	sig = 0.0
double	cut = INACTIVE_CUTOFF
double	offset = 0.0
double	w = 0.0
double	rchange = 0.0

Detailed Description

Lennard-Jones with a different Cos potential.

Definition at line 220 of file nonbonded_interaction_data.hpp.

Constructor & Destructor Documentation

LJcos2_Parameters() [1/2]

LJcos2_Parameters::LJcos2_Parameters ( )

default

LJcos2_Parameters() [2/2]

LJcos2_Parameters::LJcos2_Parameters	(	double	epsilon,
		double	sigma,
		double	offset,
		double	width
	)

Definition at line 33 of file ljcos2.cpp.

References cut, and rchange.

Member Function Documentation

max_cutoff()

double LJcos2_Parameters::max_cutoff ( ) const

inline

Definition at line 229 of file nonbonded_interaction_data.hpp.

References cut, and offset.

Referenced by recalc_maximal_cutoff().

Member Data Documentation

cut

double LJcos2_Parameters::cut = INACTIVE_CUTOFF

Definition at line 223 of file nonbonded_interaction_data.hpp.

Referenced by ljcos2_pair_energy(), ljcos2_pair_force_factor(), LJcos2_Parameters(), and max_cutoff().

eps

double LJcos2_Parameters::eps = 0.0

Definition at line 221 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionLJcos2::InteractionLJcos2(), ljcos2_pair_energy(), and ljcos2_pair_force_factor().

offset

double LJcos2_Parameters::offset = 0.0

Definition at line 224 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionLJcos2::InteractionLJcos2(), ljcos2_pair_energy(), ljcos2_pair_force_factor(), and max_cutoff().

rchange

double LJcos2_Parameters::rchange = 0.0

Definition at line 226 of file nonbonded_interaction_data.hpp.

Referenced by ljcos2_pair_energy(), ljcos2_pair_force_factor(), and LJcos2_Parameters().

sig

double LJcos2_Parameters::sig = 0.0

Definition at line 222 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionLJcos2::InteractionLJcos2(), ljcos2_pair_energy(), and ljcos2_pair_force_factor().

w

double LJcos2_Parameters::w = 0.0

Definition at line 225 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionLJcos2::InteractionLJcos2(), ljcos2_pair_energy(), and ljcos2_pair_force_factor().

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

• nonbonded_interaction_data.hpp
• ljcos2.cpp