SmoothStep_Parameters Struct Reference

smooth step potential More...

#include <nonbonded_interaction_data.hpp>

Public Member Functions
	SmoothStep_Parameters ()=default
	SmoothStep_Parameters (double eps, double sig, double cutoff, double d, int n, double k0)
double	max_cutoff () const

Public Attributes
double	eps = 0.0
double	sig = 0.0
double	cut = INACTIVE_CUTOFF
double	d = 0.0
int	n = 0
double	k0 = 0.0

Detailed Description

smooth step potential

Definition at line 109 of file nonbonded_interaction_data.hpp.

Constructor & Destructor Documentation

SmoothStep_Parameters() [1/2]

SmoothStep_Parameters::SmoothStep_Parameters ( )

default

SmoothStep_Parameters() [2/2]

SmoothStep_Parameters::SmoothStep_Parameters	(	double	eps,
		double	sig,
		double	cutoff,
		double	d,
		int	n,
		double	k0
	)

Definition at line 32 of file smooth_step.cpp.

References eps, and sig.

Member Function Documentation

max_cutoff()

double SmoothStep_Parameters::max_cutoff ( ) const

inline

Definition at line 119 of file nonbonded_interaction_data.hpp.

References cut.

Referenced by recalc_maximal_cutoff().

Member Data Documentation

cut

double SmoothStep_Parameters::cut = INACTIVE_CUTOFF

Definition at line 112 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionSmoothStep::InteractionSmoothStep(), max_cutoff(), SmSt_pair_energy(), and SmSt_pair_force_factor().

d

double SmoothStep_Parameters::d = 0.0

Definition at line 113 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionSmoothStep::InteractionSmoothStep(), SmSt_pair_energy(), and SmSt_pair_force_factor().

eps

double SmoothStep_Parameters::eps = 0.0

Definition at line 110 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionSmoothStep::InteractionSmoothStep(), SmoothStep_Parameters(), SmSt_pair_energy(), and SmSt_pair_force_factor().

k0

double SmoothStep_Parameters::k0 = 0.0

Definition at line 115 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionSmoothStep::InteractionSmoothStep(), SmSt_pair_energy(), and SmSt_pair_force_factor().

n

int SmoothStep_Parameters::n = 0

Definition at line 114 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionSmoothStep::InteractionSmoothStep(), SmSt_pair_energy(), and SmSt_pair_force_factor().

sig

double SmoothStep_Parameters::sig = 0.0

Definition at line 111 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionSmoothStep::InteractionSmoothStep(), SmoothStep_Parameters(), SmSt_pair_energy(), and SmSt_pair_force_factor().

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

• nonbonded_interaction_data.hpp
• smooth_step.cpp