UnitCell Member List

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

a1	UnitCell
a2	UnitCell
a3	UnitCell
atom_label	UnitCell
atom_mass	UnitCell
atom_mulliken	UnitCell
atoms	UnitCell
cal_dtau(const int &iat1, const int &iat2, const ModuleBase::Vector3< int > &R) const	UnitCell	inline
cell_parameter_updated	UnitCell
compare_atom_labels(const std::string &label1, const std::string &label2)	UnitCell
Coordinate	UnitCell
descriptor_file	UnitCell
G	UnitCell
G0	UnitCell
get_atom_Counts() const	UnitCell
get_atomCounts() const	UnitCell
get_atomLabels() const	UnitCell
get_constrain() const	UnitCell
get_iat2iwt() const	UnitCell	inline
get_lambda() const	UnitCell
get_lnchi_Counts() const	UnitCell
get_lnchiCounts() const	UnitCell
get_npol() const	UnitCell	inline
get_orbital_Counts() const	UnitCell
get_target_mag() const	UnitCell
get_tau(const int &iat) const	UnitCell	inline
GGT	UnitCell
GGT0	UnitCell
GT	UnitCell
GT0	UnitCell
iat2ia	UnitCell
iat2iait(const Tiat iat, Tiait *ia, Tiait *it) const	UnitCell	inline
iat2it	UnitCell
iat2iwt	UnitCell	private
if_atoms_can_move() const	UnitCell
if_cell_can_change() const	UnitCell
ijat2iaitjajt(const Tiat ijat, Tiait *ia, Tiait *it, Tiait *ja, Tiait *jt) const	UnitCell	inline
init_vel	UnitCell
invGGT	UnitCell
invGGT0	UnitCell
ionic_position_updated	UnitCell
itia2iat	UnitCell
itiaiw2iwt(const Tiait &it, const Tiait &ia, const Tiait &iw) const	UnitCell	inline
iwt2iat	UnitCell
iwt2iw	UnitCell
lat	UnitCell
lat0	UnitCell
lat0_angstrom	UnitCell
latcenter	UnitCell
latName	UnitCell
latvec	UnitCell
latvec_supercell	UnitCell
lc	UnitCell
lmax	UnitCell
lmax_ppwf	UnitCell
lmaxmax	UnitCell
magnet	UnitCell
meshx	UnitCell
n_mag_at	UnitCell
namax	UnitCell
nat	UnitCell
natomwfc	UnitCell
nmax	UnitCell
nmax_total	UnitCell
npol	UnitCell	private
ntype	UnitCell
nwmax	UnitCell
omega	UnitCell
orbital_fn	UnitCell
print_cell(std::ofstream &ofs) const	UnitCell
pseudo_fn	UnitCell
pseudo_type	UnitCell
set_atom_flag	UnitCell
set_iat2itia()	UnitCell
set_iat2iwt(const int &npol_in)	UnitCell
setup(const std::string &latname_in, const int &ntype_in, const int &lmaxmax_in, const bool &init_vel_in, const std::string &fixed_axes_in)	UnitCell
setup_cell(const std::string &fn, std::ofstream &log)	UnitCell
st	UnitCell
step_ia(const Tiait it, Tiait *ia) const	UnitCell	inline
step_iait(Tiait *ia, Tiait *it) const	UnitCell	inline
step_it(Tiait *it) const	UnitCell	inline
step_jajtiait(Tiait *ja, Tiait *jt, Tiait *ia, Tiait *it) const	UnitCell	inline
stress	UnitCell	private
symm	UnitCell
tpiba	UnitCell
tpiba2	UnitCell
UnitCell()	UnitCell
~UnitCell()	UnitCell