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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_Basic
protected
BFGS_Basic
()
BFGS_Basic
bfgs_ndim
BFGS_Basic
private
bfgs_routine
(const double &lat0)
Ions_Move_BFGS
private
check_move
(const double &lat0, const double &pos, const double &pos_p)
BFGS_Basic
protected
check_wolfe_conditions
(void)
BFGS_Basic
private
compute_trust_radius
(void)
BFGS_Basic
private
first_step
Ions_Move_BFGS
private
grad
BFGS_Basic
protected
grad_p
BFGS_Basic
protected
init_done
Ions_Move_BFGS
private
inv_hess
BFGS_Basic
private
Ions_Move_BFGS
()
Ions_Move_BFGS
move
BFGS_Basic
protected
move_p
BFGS_Basic
protected
new_step
(const double &lat0)
BFGS_Basic
protected
pos
BFGS_Basic
protected
pos_p
BFGS_Basic
protected
relax_bfgs_w1
BFGS_Basic
static
relax_bfgs_w2
BFGS_Basic
static
reset_hessian
(void)
BFGS_Basic
protected
restart_bfgs
(const double &lat0)
Ions_Move_BFGS
private
save_bfgs
(void)
BFGS_Basic
protected
save_flag
BFGS_Basic
protected
start
(UnitCell &ucell, const ModuleBase::matrix &force, const double &energy_in)
Ions_Move_BFGS
tr_min_hit
BFGS_Basic
protected
update_inverse_hessian
(const double &lat0)
BFGS_Basic
private
wolfe_flag
BFGS_Basic
private
~BFGS_Basic
()
BFGS_Basic
~Ions_Move_BFGS
()
Ions_Move_BFGS
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