Morse_Parameters Struct Reference

Morse potential. More...

#include <nonbonded_interaction_data.hpp>

Public Member Functions
	Morse_Parameters ()=default
	Morse_Parameters (double eps, double alpha, double rmin, double cutoff)
double	max_cutoff () const

Public Attributes
double	eps = 0.
double	alpha = inactive_cutoff
double	rmin = inactive_cutoff
double	cut = inactive_cutoff
double	rest = inactive_cutoff

Detailed Description

Morse potential.

Definition at line 153 of file nonbonded_interaction_data.hpp.

Constructor & Destructor Documentation

Morse_Parameters() [1/2]

Morse_Parameters::Morse_Parameters ( )

default

Morse_Parameters() [2/2]

Morse_Parameters::Morse_Parameters	(	double	eps,
		double	alpha,
		double	rmin,
		double	cutoff
	)

Definition at line 33 of file morse.cpp.

References alpha, cut, eps, rest, and rmin.

Member Function Documentation

max_cutoff()

double Morse_Parameters::max_cutoff ( ) const

inline

Definition at line 161 of file nonbonded_interaction_data.hpp.

References cut.

Referenced by recalc_maximal_cutoff().

Member Data Documentation

alpha

double Morse_Parameters::alpha = inactive_cutoff

Definition at line 155 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionMorse::InteractionMorse(), morse_pair_energy(), morse_pair_force_factor(), and Morse_Parameters().

cut

double Morse_Parameters::cut = inactive_cutoff

Definition at line 157 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionMorse::InteractionMorse(), max_cutoff(), morse_pair_energy(), morse_pair_force_factor(), and Morse_Parameters().

eps

double Morse_Parameters::eps = 0.

Definition at line 154 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionMorse::InteractionMorse(), morse_pair_energy(), morse_pair_force_factor(), and Morse_Parameters().

rest

double Morse_Parameters::rest = inactive_cutoff

Definition at line 158 of file nonbonded_interaction_data.hpp.

Referenced by morse_pair_energy(), and Morse_Parameters().

rmin

double Morse_Parameters::rmin = inactive_cutoff

Definition at line 156 of file nonbonded_interaction_data.hpp.

Referenced by ScriptInterface::Interactions::InteractionMorse::InteractionMorse(), morse_pair_energy(), morse_pair_force_factor(), and Morse_Parameters().

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

• nonbonded_interaction_data.hpp
• morse.cpp