ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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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 157 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 165 of file nonbonded_interaction_data.hpp.

References cut.

Referenced by recalc_maximal_cutoff().

Member Data Documentation

◆ alpha

◆ cut

◆ eps

◆ rest

double Morse_Parameters::rest = INACTIVE_CUTOFF

Definition at line 162 of file nonbonded_interaction_data.hpp.

Referenced by morse_pair_energy(), and Morse_Parameters().

◆ rmin


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