Lattice_Change_Methods Class Reference

#include <lattice_change_methods.h>

Collaboration diagram for Lattice_Change_Methods:

Public Member Functions
	Lattice_Change_Methods ()
	~Lattice_Change_Methods ()
void	allocate (void)
void	cal_lattice_change (const int &istep, const int &stress_step, const ModuleBase::matrix &stress, const double &etot, UnitCell &ucell)
bool	get_converged (void) const
double	get_ediff (void) const
double	get_largest_grad (void) const

Private Attributes
Lattice_Change_CG	lccg

Constructor & Destructor Documentation

Lattice_Change_Methods()

Lattice_Change_Methods::Lattice_Change_Methods

(

)

~Lattice_Change_Methods()

Lattice_Change_Methods::~Lattice_Change_Methods

(

)

Member Function Documentation

allocate()

void Lattice_Change_Methods::allocate

(

void

)

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cal_lattice_change()

void Lattice_Change_Methods::cal_lattice_change	(	const int &	istep,
		const int &	stress_step,
		const ModuleBase::matrix &	stress,
		const double &	etot,
		UnitCell &	ucell
	)

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get_converged()

bool Lattice_Change_Methods::get_converged ( void  ) const

inline

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get_ediff()

double Lattice_Change_Methods::get_ediff ( void  ) const

inline

get_largest_grad()

double Lattice_Change_Methods::get_largest_grad ( void  ) const

inline

Member Data Documentation

lccg

Lattice_Change_CG Lattice_Change_Methods::lccg

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_relax/lattice_change_methods.h
• /home/runner/work/abacus-develop/abacus-develop/source/source_relax/lattice_change_methods.cpp