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occ::main::Morse Struct Reference

#include <occ_elastic_fit.h>

Public Member Functions

 Morse (double D0, double r0, double alpha, const occ::Vec3 &r_vec)
 
std::string to_string () const
 
double energy (double r) const
 
double energy () const
 
double first_derivative (double r) const
 
double first_derivative () const
 
double second_derivative (double r) const
 
double second_derivative () const
 

Public Attributes

double D0
 
double r0
 
double alpha
 
occ::Vec3 r_vector
 
occ::Vec3 r_hat
 

Constructor & Destructor Documentation

◆ Morse()

occ::main::Morse::Morse ( double  D0,
double  r0,
double  alpha,
const occ::Vec3 r_vec 
)
inline

Member Function Documentation

◆ energy() [1/2]

double occ::main::Morse::energy ( ) const
inline

◆ energy() [2/2]

double occ::main::Morse::energy ( double  r) const
inline

◆ first_derivative() [1/2]

double occ::main::Morse::first_derivative ( ) const
inline

◆ first_derivative() [2/2]

double occ::main::Morse::first_derivative ( double  r) const
inline

◆ second_derivative() [1/2]

double occ::main::Morse::second_derivative ( ) const
inline

◆ second_derivative() [2/2]

double occ::main::Morse::second_derivative ( double  r) const
inline

◆ to_string()

std::string occ::main::Morse::to_string ( ) const
inline

Member Data Documentation

◆ alpha

double occ::main::Morse::alpha

◆ D0

double occ::main::Morse::D0

◆ r0

double occ::main::Morse::r0

◆ r_hat

occ::Vec3 occ::main::Morse::r_hat

◆ r_vector

occ::Vec3 occ::main::Morse::r_vector

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