Ions_Move_SD Class Reference

#include <ions_move_sd.h>

Collaboration diagram for Ions_Move_SD:

Public Member Functions
	Ions_Move_SD ()
	~Ions_Move_SD ()
void	allocate (void)
void	start (UnitCell &ucell, const ModuleBase::matrix &force, const double &etot)

Private Member Functions
void	cal_tradius_sd (void) const

Private Attributes
double	energy_saved
double *	pos_saved
double *	grad_saved

Constructor & Destructor Documentation

Ions_Move_SD()

Ions_Move_SD::Ions_Move_SD

(

)

~Ions_Move_SD()

Ions_Move_SD::~Ions_Move_SD

(

)

Member Function Documentation

allocate()

void Ions_Move_SD::allocate

(

void

)

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cal_tradius_sd()

void Ions_Move_SD::cal_tradius_sd ( void  ) const

private

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start()

void Ions_Move_SD::start	(	UnitCell &	ucell,
		const ModuleBase::matrix &	force,
		const double &	etot
	)

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Member Data Documentation

energy_saved

double Ions_Move_SD::energy_saved

private

grad_saved

double* Ions_Move_SD::grad_saved

private

pos_saved

double* Ions_Move_SD::pos_saved

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