ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
Loading...
Searching...
No Matches
LJGen_Parameters Struct Reference

Generic Lennard-Jones with shift. More...

#include <nonbonded_interaction_data.hpp>

Public Member Functions

 LJGen_Parameters ()=default
 
 LJGen_Parameters (double epsilon, double sigma, double cutoff, double shift, double offset, double lam, double delta, double e1, double e2, double b1, double b2)
 
double get_auto_shift () const
 
double max_cutoff () const
 

Public Attributes

double eps = 0.0
 
double sig = 0.0
 
double cut = INACTIVE_CUTOFF
 
double shift = 0.0
 
double offset = 0.0
 
double lambda = 1.0
 
double softrad = 0.0
 
double a1 = 0.0
 
double a2 = 0.0
 
double b1 = 0.0
 
double b2 = 0.0
 

Detailed Description

Generic Lennard-Jones with shift.

Definition at line 79 of file nonbonded_interaction_data.hpp.

Constructor & Destructor Documentation

◆ LJGen_Parameters() [1/2]

LJGen_Parameters::LJGen_Parameters ( )
default

◆ LJGen_Parameters() [2/2]

LJGen_Parameters::LJGen_Parameters ( double  epsilon,
double  sigma,
double  cutoff,
double  shift,
double  offset,
double  lam,
double  delta,
double  e1,
double  e2,
double  b1,
double  b2 
)

Definition at line 32 of file ljgen.cpp.

Member Function Documentation

◆ get_auto_shift()

double LJGen_Parameters::get_auto_shift ( ) const
inline

Definition at line 98 of file nonbonded_interaction_data.hpp.

References a1, a2, b1, b2, cut, and sig.

◆ max_cutoff()

double LJGen_Parameters::max_cutoff ( ) const
inline

Definition at line 105 of file nonbonded_interaction_data.hpp.

References cut, and offset.

Referenced by ljgen_pair_energy(), ljgen_pair_force_factor(), and recalc_maximal_cutoff().

Member Data Documentation

◆ a1

◆ a2

◆ b1

◆ b2

◆ cut

◆ eps

◆ lambda

◆ offset

◆ shift

◆ sig

◆ softrad


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