occ::main::PotentialBase Class Reference

#include <occ_elastic_fit.h>

Inheritance diagram for occ::main::PotentialBase:

Public Member Functions
virtual	~PotentialBase ()=default
virtual double	energy (double r) const =0
virtual double	energy () const =0
virtual double	first_derivative (double r) const =0
virtual double	first_derivative () const =0
virtual double	second_derivative (double r) const =0
virtual double	second_derivative () const =0
virtual std::string	to_string () const =0

Public Attributes
occ::Vec3	r_vector
occ::Vec3	r_hat
double	r0

Constructor & Destructor Documentation

~PotentialBase()

virtual occ::main::PotentialBase::~PotentialBase ( )

virtualdefault

Member Function Documentation

energy() [1/2]

virtual double occ::main::PotentialBase::energy ( ) const

pure virtual

Implemented in occ::main::MorseWrapper, occ::main::LJWrapper, and occ::main::LJ_AWrapper.

energy() [2/2]

virtual double occ::main::PotentialBase::energy ( double  r ) const

pure virtual

Implemented in occ::main::MorseWrapper, occ::main::LJWrapper, and occ::main::LJ_AWrapper.

first_derivative() [1/2]

virtual double occ::main::PotentialBase::first_derivative ( ) const

pure virtual

Implemented in occ::main::MorseWrapper, occ::main::LJWrapper, and occ::main::LJ_AWrapper.

first_derivative() [2/2]

virtual double occ::main::PotentialBase::first_derivative ( double  r ) const

pure virtual

Implemented in occ::main::MorseWrapper, occ::main::LJWrapper, and occ::main::LJ_AWrapper.

second_derivative() [1/2]

virtual double occ::main::PotentialBase::second_derivative ( ) const

pure virtual

Implemented in occ::main::MorseWrapper, occ::main::LJWrapper, and occ::main::LJ_AWrapper.

second_derivative() [2/2]

virtual double occ::main::PotentialBase::second_derivative ( double  r ) const

pure virtual

Implemented in occ::main::MorseWrapper, occ::main::LJWrapper, and occ::main::LJ_AWrapper.

to_string()

virtual std::string occ::main::PotentialBase::to_string ( ) const

pure virtual

Implemented in occ::main::MorseWrapper, occ::main::LJWrapper, and occ::main::LJ_AWrapper.

Member Data Documentation

r0

double occ::main::PotentialBase::r0

r_hat

occ::Vec3 occ::main::PotentialBase::r_hat

r_vector

occ::Vec3 occ::main::PotentialBase::r_vector

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

• /home/runner/work/occ/occ/include/occ/main/occ_elastic_fit.h