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Atomic-orbital Based Ab-initio Computation at UStc
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ModuleGint
BigGrid
ModuleGint::BigGrid Member List
This is the complete list of members for
ModuleGint::BigGrid
, including all inherited members.
add_atom
(const GintAtom *atom)
ModuleGint::BigGrid
atoms_
ModuleGint::BigGrid
private
BigGrid
(int idx)
ModuleGint::BigGrid
biggrid_info_
ModuleGint::BigGrid
private
static
get_atom
(int i) const
ModuleGint::BigGrid
inline
get_atoms
() const
ModuleGint::BigGrid
inline
get_atoms_num
() const
ModuleGint::BigGrid
inline
get_bgrid_atom_rcoord
(const GintAtom *atom) const
ModuleGint::BigGrid
get_bgrid_info
()
ModuleGint::BigGrid
inline
static
get_idx
() const
ModuleGint::BigGrid
inline
get_localcell_info
()
ModuleGint::BigGrid
inline
static
get_mgrids_num
() const
ModuleGint::BigGrid
inline
get_phi_len
() const
ModuleGint::BigGrid
get_unitcell_info
()
ModuleGint::BigGrid
inline
static
idx_
ModuleGint::BigGrid
private
init_bgrid_info
(std::shared_ptr< const BigGridInfo > biggrid_info)
ModuleGint::BigGrid
inline
static
init_localcell_info
(std::shared_ptr< const LocalCellInfo > localcell_info)
ModuleGint::BigGrid
inline
static
init_unitcell_info
(std::shared_ptr< const UnitCellInfo > unitcell_info)
ModuleGint::BigGrid
inline
static
is_atom_on_bgrid
(const GintAtom *atom) const
ModuleGint::BigGrid
localcell_info_
ModuleGint::BigGrid
private
static
set_atom_relative_coords
(const GintAtom *atom, std::vector< Vec3d > &atom_coord) const
ModuleGint::BigGrid
set_atom_relative_coords
(const Vec3i bgrid_idx, const Vec3d tau_in_bgrid, std::vector< Vec3d > &atom_coord) const
ModuleGint::BigGrid
set_atoms_phi_len
(std::vector< int > &phi_len) const
ModuleGint::BigGrid
set_atoms_startidx
(std::vector< int > &startidx) const
ModuleGint::BigGrid
set_mgrids_coord
(std::vector< Vec3d > &coord) const
ModuleGint::BigGrid
set_mgrids_local_idx
(std::vector< int > &mgrids_idx) const
ModuleGint::BigGrid
unitcell_info_
ModuleGint::BigGrid
private
static
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