1#ifndef LATTICE_CHANGE_METHODS_H
2#define LATTICE_CHANGE_METHODS_H
17 const int &stress_step,
Definition lattice_change_cg.h:7
Definition lattice_change_methods.h:8
bool get_converged(void) const
Definition lattice_change_methods.h:22
void allocate(void)
Definition lattice_change_methods.cpp:12
void cal_lattice_change(const int &istep, const int &stress_step, const ModuleBase::matrix &stress, const double &etot, UnitCell &ucell)
Definition lattice_change_methods.cpp:20
~Lattice_Change_Methods()
Definition lattice_change_methods.cpp:8
Lattice_Change_CG lccg
Definition lattice_change_methods.h:38
double get_largest_grad(void) const
Definition lattice_change_methods.h:32
double get_ediff(void) const
Definition lattice_change_methods.h:27
Lattice_Change_Methods()
Definition lattice_change_methods.cpp:5
bool converged
Definition lattice_change_basic.cpp:9
double ediff
Definition lattice_change_basic.cpp:15
double largest_grad
Definition lattice_change_basic.cpp:10