occ::main::LJWrapper Class Reference

#include <occ_elastic_fit.h>

Inheritance diagram for occ::main::LJWrapper:

Collaboration diagram for occ::main::LJWrapper:

Public Member Functions
	LJWrapper (double eps, double r0, const occ::Vec3 &r_vec)
double	energy (double r) const override
double	energy () const override
double	first_derivative (double r) const override
double	first_derivative () const override
double	second_derivative (double r) const override
double	second_derivative () const override
std::string	to_string () const override
Public Member Functions inherited from occ::main::PotentialBase
virtual	~PotentialBase ()=default

Additional Inherited Members
Public Attributes inherited from occ::main::PotentialBase
occ::Vec3	r_vector
occ::Vec3	r_hat
double	r0

Constructor & Destructor Documentation

LJWrapper()

occ::main::LJWrapper::LJWrapper ( double  eps, double  r0, const occ::Vec3 &  r_vec  )

inline

Member Function Documentation

energy() [1/2]

double occ::main::LJWrapper::energy ( ) const

inlineoverridevirtual

Implements occ::main::PotentialBase.

energy() [2/2]

double occ::main::LJWrapper::energy ( double  r ) const

inlineoverridevirtual

Implements occ::main::PotentialBase.

first_derivative() [1/2]

double occ::main::LJWrapper::first_derivative ( ) const

inlineoverridevirtual

Implements occ::main::PotentialBase.

first_derivative() [2/2]

double occ::main::LJWrapper::first_derivative ( double  r ) const

inlineoverridevirtual

Implements occ::main::PotentialBase.

second_derivative() [1/2]

double occ::main::LJWrapper::second_derivative ( ) const

inlineoverridevirtual

Implements occ::main::PotentialBase.

second_derivative() [2/2]

double occ::main::LJWrapper::second_derivative ( double  r ) const

inlineoverridevirtual

Implements occ::main::PotentialBase.

to_string()

std::string occ::main::LJWrapper::to_string ( ) const

inlineoverridevirtual

Implements occ::main::PotentialBase.

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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