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Atomic-orbital Based Ab-initio Computation at UStc
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Lattice_Change_CG Member List

This is the complete list of members for Lattice_Change_CG, including all inherited members.

allocate(void)Lattice_Change_CG
Brent(double &fa, double &fb, double &fc, double &xa, double &xb, double &xc, double &best_x, double &xpt)Lattice_Change_CGprivate
cg_grad0Lattice_Change_CGprivate
e0Lattice_Change_CGprivate
f_cal(const double *g0, const double *g1, const int &dim, double &f_value)Lattice_Change_CGprivate
grad0Lattice_Change_CGprivate
lat0Lattice_Change_CGprivate
Lattice_Change_CG()Lattice_Change_CG
move0Lattice_Change_CGprivate
setup_cg_grad(double *grad, const double *grad0, double *cg_grad, const double *cg_grad0, const int &ncggrad, int &flag)Lattice_Change_CGprivate
setup_move(double *move, double *cg_gradn, const double &trust_radius)Lattice_Change_CGprivate
start(UnitCell &ucell, const ModuleBase::matrix &stress_in, const double &etot)Lattice_Change_CG
third_order(const double &e0, const double &e1, const double &fa, const double &fb, const double x, double &best_x)Lattice_Change_CGprivate
~Lattice_Change_CG()Lattice_Change_CG