vdw::Vdwd2 Class Reference

#include <vdwd2.h>

Inheritance diagram for vdw::Vdwd2:

Collaboration diagram for vdw::Vdwd2:

Public Member Functions
	Vdwd2 (const UnitCell &unit_in)
	~Vdwd2 ()=default
Vdwd2Parameters &	parameter ()
const Vdwd2Parameters &	parameter () const
Public Member Functions inherited from vdw::Vdw
	Vdw (const UnitCell &unit_in)
virtual	~Vdw ()=default
double	get_energy (bool cal=true)
const std::vector< ModuleBase::Vector3< double > > &	get_force (bool cal=true)
const ModuleBase::Matrix3 &	get_stress (bool cal=true)

Private Member Functions
void	cal_energy () override
void	cal_force () override
void	cal_stress () override
template<typename F >
void	index_loops (F &&f)

Private Attributes
Vdwd2Parameters	para_

Additional Inherited Members
Protected Attributes inherited from vdw::Vdw
const UnitCell &	ucell_
double	energy_ = 0
std::vector< ModuleBase::Vector3< double > >	force_
ModuleBase::Matrix3	stress_

Constructor & Destructor Documentation

Vdwd2()

vdw::Vdwd2::Vdwd2 ( const UnitCell &  unit_in )

inline

~Vdwd2()

vdw::Vdwd2::~Vdwd2 ( )

default

Member Function Documentation

cal_energy()

void vdw::Vdwd2::cal_energy ( )

overrideprivatevirtual

Implements vdw::Vdw.

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cal_force()

void vdw::Vdwd2::cal_force ( )

overrideprivatevirtual

Implements vdw::Vdw.

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cal_stress()

void vdw::Vdwd2::cal_stress ( )

overrideprivatevirtual

Implements vdw::Vdw.

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index_loops()

template<typename F >

void vdw::Vdwd2::index_loops ( F &&  f )

inlineprivate

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parameter() [1/2]

Vdwd2Parameters & vdw::Vdwd2::parameter ( )

inline

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parameter() [2/2]

const Vdwd2Parameters & vdw::Vdwd2::parameter ( ) const

inline

Member Data Documentation

para_

Vdwd2Parameters vdw::Vdwd2::para_

private

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

• /home/runner/work/abacus-develop/abacus-develop/source/source_hamilt/module_vdw/vdwd2.h
• /home/runner/work/abacus-develop/abacus-develop/source/source_hamilt/module_vdw/vdwd2.cpp