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

Lennard-Jones with shift. More...

#include <nonbonded_interaction_data.hpp>

Public Member Functions

 LJ_Parameters ()=default
 
 LJ_Parameters (double epsilon, double sigma, double cutoff, double offset, double min, double shift)
 
double get_auto_shift () const
 
double max_cutoff () const
 
double min_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 min = 0.0
 

Detailed Description

Lennard-Jones with shift.

Definition at line 47 of file nonbonded_interaction_data.hpp.

Constructor & Destructor Documentation

◆ LJ_Parameters() [1/2]

LJ_Parameters::LJ_Parameters ( )
default

◆ LJ_Parameters() [2/2]

LJ_Parameters::LJ_Parameters ( double  epsilon,
double  sigma,
double  cutoff,
double  offset,
double  min,
double  shift 
)

Definition at line 33 of file lj.cpp.

Member Function Documentation

◆ get_auto_shift()

double LJ_Parameters::get_auto_shift ( ) const
inline

Definition at line 57 of file nonbonded_interaction_data.hpp.

References cut, and sig.

◆ max_cutoff()

double LJ_Parameters::max_cutoff ( ) const
inline

Definition at line 64 of file nonbonded_interaction_data.hpp.

References cut, and offset.

Referenced by lj_pair_energy(), lj_pair_force_factor(), and recalc_maximal_cutoff().

◆ min_cutoff()

double LJ_Parameters::min_cutoff ( ) const
inline

Definition at line 65 of file nonbonded_interaction_data.hpp.

References min, and offset.

Referenced by lj_pair_energy(), and lj_pair_force_factor().

Member Data Documentation

◆ cut

◆ eps

◆ min

double LJ_Parameters::min = 0.0

◆ offset

◆ shift

◆ sig


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