ABACUS
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Atomic-orbital Based Ab-initio Computation at UStc
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Relax Member List
This is the complete list of members for
Relax
, including all inherited members.
brent_done
Relax
private
calculate_gamma
()
Relax
private
cg_step
Relax
private
check_line_search
()
Relax
private
dmove
Relax
private
dmoveh
Relax
private
dmovel
Relax
private
e1ord1
Relax
private
e1ord2
Relax
private
e2ord
Relax
private
e2ord2
Relax
private
etot
Relax
private
etot_p
Relax
private
fac_force
Relax
private
fac_stress
Relax
private
force_thr_eva
Relax
private
gamma
Relax
private
gr_gr
Relax
private
gr_grp
Relax
private
gr_sr
Relax
private
grad_cell
Relax
private
grad_cell_p
Relax
private
grad_ion
Relax
private
grad_ion_p
Relax
private
grp_grp
Relax
private
if_cell_moves
Relax
private
init_relax
(const int nat_in)
Relax
istep
Relax
private
latvec_save
Relax
private
ls
Relax
private
ltrial
Relax
private
move_cell_ions
(UnitCell &ucell, const bool is_new_dir)
Relax
private
nat
Relax
private
new_direction
()
Relax
private
perform_line_search
()
Relax
private
Relax
()
Relax
inline
relax_step
(UnitCell &ucell, const ModuleBase::matrix &force, const ModuleBase::matrix &stress, const double etot_in)
Relax
search_dr_cell
Relax
private
search_dr_cell_p
Relax
private
search_dr_ion
Relax
private
search_dr_ion_p
Relax
private
setup_gradient
(const UnitCell &ucell, const ModuleBase::matrix &force, const ModuleBase::matrix &stress)
Relax
private
sr_sr
Relax
private
srp_srp
Relax
private
step_size
Relax
private
~Relax
()
Relax
inline
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