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Atomic-orbital Based Ab-initio Computation at UStc
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Public Member Functions | Private Attributes | List of all members
Relax_Driver Class Reference

#include <relax_driver.h>

Collaboration diagram for Relax_Driver:

Public Member Functions

 Relax_Driver ()
 
 ~Relax_Driver ()
 
void relax_driver (ModuleESolver::ESolver *p_esolver, UnitCell &ucell, const Input_para &inp)
 

Private Attributes

int istep = 0
 
double etot = 0
 
Relax rl
 
Relax_old rl_old
 
BFGS bfgs_trad
 

Constructor & Destructor Documentation

◆ Relax_Driver()

Relax_Driver::Relax_Driver ( )
inline

◆ ~Relax_Driver()

Relax_Driver::~Relax_Driver ( )
inline

Member Function Documentation

◆ relax_driver()

void Relax_Driver::relax_driver ( ModuleESolver::ESolver p_esolver,
UnitCell ucell,
const Input_para inp 
)
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Member Data Documentation

◆ bfgs_trad

BFGS Relax_Driver::bfgs_trad
private

◆ etot

double Relax_Driver::etot = 0
private

◆ istep

int Relax_Driver::istep = 0
private

◆ rl

Relax Relax_Driver::rl
private

◆ rl_old

Relax_old Relax_Driver::rl_old
private

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