ABACUS develop
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_doneRelaxprivate
calculate_gamma()Relaxprivate
cg_stepRelaxprivate
check_line_search()Relaxprivate
dmoveRelaxprivate
dmovehRelaxprivate
dmovelRelaxprivate
e1ord1Relaxprivate
e1ord2Relaxprivate
e2ordRelaxprivate
e2ord2Relaxprivate
etotRelaxprivate
etot_pRelaxprivate
fac_forceRelaxprivate
fac_stressRelaxprivate
force_thr_evaRelaxprivate
gammaRelaxprivate
gr_grRelaxprivate
gr_grpRelaxprivate
gr_srRelaxprivate
grad_cellRelaxprivate
grad_cell_pRelaxprivate
grad_ionRelaxprivate
grad_ion_pRelaxprivate
grp_grpRelaxprivate
if_cell_movesRelaxprivate
init_relax(const int nat_in)Relax
istepRelaxprivate
latvec_saveRelaxprivate
lsRelaxprivate
ltrialRelaxprivate
move_cell_ions(UnitCell &ucell, const bool is_new_dir)Relaxprivate
natRelaxprivate
new_direction()Relaxprivate
perform_line_search()Relaxprivate
Relax()Relaxinline
relax_step(UnitCell &ucell, const ModuleBase::matrix &force, const ModuleBase::matrix &stress, const double etot_in)Relax
search_dr_cellRelaxprivate
search_dr_cell_pRelaxprivate
search_dr_ionRelaxprivate
search_dr_ion_pRelaxprivate
setup_gradient(const UnitCell &ucell, const ModuleBase::matrix &force, const ModuleBase::matrix &stress)Relaxprivate
sr_srRelaxprivate
srp_srpRelaxprivate
step_sizeRelaxprivate
~Relax()Relaxinline