BMHTF_Parameters Struct Reference

BMHTF NaCl potential. More...

#include <nonbonded_interaction_data.hpp>

Public Member Functions
	BMHTF_Parameters ()=default
	BMHTF_Parameters (double A, double B, double C, double D, double sig, double cut)
double	max_cutoff () const

Public Attributes
double	A = 0.0
double	B = 0.0
double	C = 0.0
double	D = 0.0
double	sig = 0.0
double	cut = INACTIVE_CUTOFF
double	computed_shift = 0.0

Detailed Description

BMHTF NaCl potential.

Definition at line 142 of file nonbonded_interaction_data.hpp.

Constructor & Destructor Documentation

BMHTF_Parameters() [1/2]

BMHTF_Parameters::BMHTF_Parameters ( )

default

BMHTF_Parameters() [2/2]

BMHTF_Parameters::BMHTF_Parameters	(	double	A,
		double	B,
		double	C,
		double	D,
		double	sig,
		double	cut
	)

Definition at line 34 of file bmhtf-nacl.cpp.

References A, B, C, computed_shift, cut, D, and sig.

Member Function Documentation

max_cutoff()

double BMHTF_Parameters::max_cutoff ( ) const

inline

Definition at line 153 of file nonbonded_interaction_data.hpp.

References cut.

Referenced by recalc_maximal_cutoff().

Member Data Documentation

A

double BMHTF_Parameters::A = 0.0

Definition at line 143 of file nonbonded_interaction_data.hpp.

Referenced by BMHTF_pair_energy(), BMHTF_pair_force_factor(), BMHTF_Parameters(), and ScriptInterface::Interactions::InteractionBMHTF::InteractionBMHTF().

B

double BMHTF_Parameters::B = 0.0

Definition at line 144 of file nonbonded_interaction_data.hpp.

Referenced by BMHTF_pair_energy(), BMHTF_pair_force_factor(), BMHTF_Parameters(), and ScriptInterface::Interactions::InteractionBMHTF::InteractionBMHTF().

C

double BMHTF_Parameters::C = 0.0

Definition at line 145 of file nonbonded_interaction_data.hpp.

Referenced by BMHTF_pair_energy(), BMHTF_pair_force_factor(), BMHTF_Parameters(), and ScriptInterface::Interactions::InteractionBMHTF::InteractionBMHTF().

computed_shift

double BMHTF_Parameters::computed_shift = 0.0

Definition at line 149 of file nonbonded_interaction_data.hpp.

Referenced by BMHTF_pair_energy(), and BMHTF_Parameters().

cut

double BMHTF_Parameters::cut = INACTIVE_CUTOFF

Definition at line 148 of file nonbonded_interaction_data.hpp.

Referenced by BMHTF_pair_energy(), BMHTF_pair_force_factor(), BMHTF_Parameters(), ScriptInterface::Interactions::InteractionBMHTF::InteractionBMHTF(), and max_cutoff().

D

double BMHTF_Parameters::D = 0.0

Definition at line 146 of file nonbonded_interaction_data.hpp.

Referenced by BMHTF_pair_energy(), BMHTF_pair_force_factor(), BMHTF_Parameters(), and ScriptInterface::Interactions::InteractionBMHTF::InteractionBMHTF().

sig

double BMHTF_Parameters::sig = 0.0

Definition at line 147 of file nonbonded_interaction_data.hpp.

Referenced by BMHTF_pair_energy(), BMHTF_pair_force_factor(), BMHTF_Parameters(), and ScriptInterface::Interactions::InteractionBMHTF::InteractionBMHTF().

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

• nonbonded_interaction_data.hpp
• bmhtf-nacl.cpp