ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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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_CG | private |
cg_grad0 | Lattice_Change_CG | private |
e0 | Lattice_Change_CG | private |
f_cal(const double *g0, const double *g1, const int &dim, double &f_value) | Lattice_Change_CG | private |
grad0 | Lattice_Change_CG | private |
lat0 | Lattice_Change_CG | private |
Lattice_Change_CG() | Lattice_Change_CG | |
move0 | Lattice_Change_CG | private |
setup_cg_grad(double *grad, const double *grad0, double *cg_grad, const double *cg_grad0, const int &ncggrad, int &flag) | Lattice_Change_CG | private |
setup_move(double *move, double *cg_gradn, const double &trust_radius) | Lattice_Change_CG | private |
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_CG | private |
~Lattice_Change_CG() | Lattice_Change_CG |