Gaussian_Parameters Struct Reference

Gaussian potential. More...

#include <nonbonded_interaction_data.hpp>

Public Member Functions
	Gaussian_Parameters ()=default
	Gaussian_Parameters (double eps, double sig, double cutoff)
double	max_cutoff () const

Public Attributes
double	eps = 0.0
double	sig = 1.0
double	cut = INACTIVE_CUTOFF

Detailed Description

Gaussian potential.

Definition at line 132 of file nonbonded_interaction_data.hpp.

Constructor & Destructor Documentation

Gaussian_Parameters() [1/2]

Gaussian_Parameters::Gaussian_Parameters ( )

default

Gaussian_Parameters() [2/2]

Gaussian_Parameters::Gaussian_Parameters	(	double	eps,
		double	sig,
		double	cutoff
	)

Definition at line 32 of file gaussian.cpp.

References eps, and sig.

Member Function Documentation

max_cutoff()

double Gaussian_Parameters::max_cutoff ( ) const

inline

Definition at line 138 of file nonbonded_interaction_data.hpp.

References cut.

Referenced by recalc_maximal_cutoff().

Member Data Documentation

cut

double Gaussian_Parameters::cut = INACTIVE_CUTOFF

Definition at line 135 of file nonbonded_interaction_data.hpp.

Referenced by gaussian_pair_energy(), gaussian_pair_force_factor(), ScriptInterface::Interactions::InteractionGaussian::InteractionGaussian(), and max_cutoff().

eps

double Gaussian_Parameters::eps = 0.0

Definition at line 133 of file nonbonded_interaction_data.hpp.

Referenced by gaussian_pair_energy(), gaussian_pair_force_factor(), Gaussian_Parameters(), and ScriptInterface::Interactions::InteractionGaussian::InteractionGaussian().

sig

double Gaussian_Parameters::sig = 1.0

Definition at line 134 of file nonbonded_interaction_data.hpp.

Referenced by gaussian_pair_energy(), gaussian_pair_force_factor(), Gaussian_Parameters(), and ScriptInterface::Interactions::InteractionGaussian::InteractionGaussian().

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

• nonbonded_interaction_data.hpp
• gaussian.cpp