ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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Buckingham_Parameters Struct Reference

Buckingham potential. More...

#include <nonbonded_interaction_data.hpp>

Public Member Functions

 Buckingham_Parameters ()=default
 
 Buckingham_Parameters (double a, double b, double c, double d, double cutoff, double discont, double shift)
 
double max_cutoff () const
 

Public Attributes

double A = 0.0
 
double B = 0.0
 
double C = 0.0
 
double D = 0.0
 
double cut = INACTIVE_CUTOFF
 
double discont = 0.0
 
double shift = 0.0
 
double F1 = 0.0
 
double F2 = 0.0
 

Detailed Description

Buckingham potential.

Definition at line 169 of file nonbonded_interaction_data.hpp.

Constructor & Destructor Documentation

◆ Buckingham_Parameters() [1/2]

Buckingham_Parameters::Buckingham_Parameters ( )
default

◆ Buckingham_Parameters() [2/2]

Buckingham_Parameters::Buckingham_Parameters ( double  a,
double  b,
double  c,
double  d,
double  cutoff,
double  discont,
double  shift 
)

Definition at line 32 of file buckingham.cpp.

References A, B, buck_energy_r(), buck_force_r(), C, D, discont, F1, F2, and shift.

Member Function Documentation

◆ max_cutoff()

double Buckingham_Parameters::max_cutoff ( ) const
inline

Definition at line 182 of file nonbonded_interaction_data.hpp.

References cut.

Referenced by recalc_maximal_cutoff().

Member Data Documentation

◆ A

◆ B

◆ C

◆ cut

◆ D

◆ discont

◆ F1

double Buckingham_Parameters::F1 = 0.0

Definition at line 177 of file nonbonded_interaction_data.hpp.

Referenced by buck_pair_energy(), and Buckingham_Parameters().

◆ F2

double Buckingham_Parameters::F2 = 0.0

◆ shift


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