WCA_Parameters Struct Reference

WCA potential. More...

#include <nonbonded_interaction_data.hpp>

Public Member Functions
	WCA_Parameters ()=default
	WCA_Parameters (double epsilon, double sigma)
double	max_cutoff () const

Public Attributes
double	eps = 0.0
double	sig = 0.0
double	cut = INACTIVE_CUTOFF

Detailed Description

WCA potential.

Definition at line 69 of file nonbonded_interaction_data.hpp.

Constructor & Destructor Documentation

WCA_Parameters() [1/2]

WCA_Parameters::WCA_Parameters ( )

default

WCA_Parameters() [2/2]

WCA_Parameters::WCA_Parameters	(	double	epsilon,
		double	sigma
	)

Definition at line 31 of file wca.cpp.

References cut.

Member Function Documentation

max_cutoff()

double WCA_Parameters::max_cutoff ( ) const

inline

Definition at line 75 of file nonbonded_interaction_data.hpp.

References cut.

Referenced by recalc_maximal_cutoff().

Member Data Documentation

cut

double WCA_Parameters::cut = INACTIVE_CUTOFF

Definition at line 72 of file nonbonded_interaction_data.hpp.

Referenced by max_cutoff(), wca_pair_energy(), wca_pair_force_factor(), and WCA_Parameters().

eps

double WCA_Parameters::eps = 0.0

Definition at line 70 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionWCA::InteractionWCA(), wca_pair_energy(), and wca_pair_force_factor().

sig

double WCA_Parameters::sig = 0.0

Definition at line 71 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionWCA::InteractionWCA(), wca_pair_energy(), and wca_pair_force_factor().

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

• nonbonded_interaction_data.hpp
• wca.cpp