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

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

allocate(void)Ions_Move_CG
Brent(double &fa, double &fb, double &fc, double &xa, double &xb, double &xc, double &best_x, double &xpt)Ions_Move_CGprivate
cg_grad0Ions_Move_CGprivate
cg_stepIons_Move_CG
e0Ions_Move_CGprivate
f_cal(const double *g0, const double *g1, const int &dim, double &f_value)Ions_Move_CGprivate
grad0Ions_Move_CGprivate
Ions_Move_CG()Ions_Move_CG
move0Ions_Move_CGprivate
pos0Ions_Move_CGprivate
RELAX_CG_THRIons_Move_CGstatic
sd_stepIons_Move_CG
setup_cg_grad(double *grad, const double *grad0, double *cg_grad, const double *cg_grad0, const int &ncggrad, int &flag)Ions_Move_CGprivate
setup_move(double *move, double *cg_gradn, const double &trust_radius)Ions_Move_CGprivate
start(UnitCell &ucell, const ModuleBase::matrix &force, const double &etot)Ions_Move_CG
third_order(const double &e0, const double &e1, const double &fa, const double &fb, const double x, double &best_x)Ions_Move_CGprivate
~Ions_Move_CG()Ions_Move_CG