occ::elastic_fit::Morse Struct Reference

#include <potentials.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::elastic_fit::Morse::Morse ( double  D0, double  r0, double  alpha, const occ::Vec3 &  r_vec  )

inline

Member Function Documentation

energy() [1/2]

double occ::elastic_fit::Morse::energy ( ) const

inline

energy() [2/2]

double occ::elastic_fit::Morse::energy ( double  r ) const

inline

first_derivative() [1/2]

double occ::elastic_fit::Morse::first_derivative ( ) const

inline

first_derivative() [2/2]

double occ::elastic_fit::Morse::first_derivative ( double  r ) const

inline

second_derivative() [1/2]

double occ::elastic_fit::Morse::second_derivative ( ) const

inline

second_derivative() [2/2]

double occ::elastic_fit::Morse::second_derivative ( double  r ) const

inline

to_string()

std::string occ::elastic_fit::Morse::to_string ( ) const

inline

Member Data Documentation

alpha

double occ::elastic_fit::Morse::alpha

D0

double occ::elastic_fit::Morse::D0

r0

double occ::elastic_fit::Morse::r0

r_hat

occ::Vec3 occ::elastic_fit::Morse::r_hat

r_vector

occ::Vec3 occ::elastic_fit::Morse::r_vector

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

• /home/runner/work/occ/occ/include/occ/elastic_fit/potentials.h