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

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

allocate(void)Ions_Move_BFGS
allocate_basic(void)BFGS_Basicprotected
BFGS_Basic()BFGS_Basic
bfgs_ndimBFGS_Basicprivate
bfgs_routine(const double &lat0)Ions_Move_BFGSprivate
check_move(const double &lat0, const double &pos, const double &pos_p)BFGS_Basicprotected
check_wolfe_conditions(void)BFGS_Basicprivate
compute_trust_radius(void)BFGS_Basicprivate
first_stepIons_Move_BFGSprivate
gradBFGS_Basicprotected
grad_pBFGS_Basicprotected
init_doneIons_Move_BFGSprivate
inv_hessBFGS_Basicprivate
Ions_Move_BFGS()Ions_Move_BFGS
moveBFGS_Basicprotected
move_pBFGS_Basicprotected
new_step(const double &lat0)BFGS_Basicprotected
posBFGS_Basicprotected
pos_pBFGS_Basicprotected
relax_bfgs_w1BFGS_Basicstatic
relax_bfgs_w2BFGS_Basicstatic
reset_hessian(void)BFGS_Basicprotected
restart_bfgs(const double &lat0)Ions_Move_BFGSprivate
save_bfgs(void)BFGS_Basicprotected
save_flagBFGS_Basicprotected
start(UnitCell &ucell, const ModuleBase::matrix &force, const double &energy_in)Ions_Move_BFGS
tr_min_hitBFGS_Basicprotected
update_inverse_hessian(const double &lat0)BFGS_Basicprivate
wolfe_flagBFGS_Basicprivate
~BFGS_Basic()BFGS_Basic
~Ions_Move_BFGS()Ions_Move_BFGS