ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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This is the complete list of members for LCAO_Orbitals, including all inherited members.
Alpha | LCAO_Orbitals | |
bcast_files(const int &ntype_in, const int &my_rank) | LCAO_Orbitals | |
cutoffs() const | LCAO_Orbitals | |
descriptor_file | LCAO_Orbitals | |
dk | LCAO_Orbitals | |
dR | LCAO_Orbitals | |
dr_uniform | LCAO_Orbitals | |
ecutwfc | LCAO_Orbitals | |
get_dk() const | LCAO_Orbitals | inline |
get_dR() const | LCAO_Orbitals | inline |
get_dr_uniform() const | LCAO_Orbitals | inline |
get_ecutwfc() const | LCAO_Orbitals | inline |
get_kmesh() const | LCAO_Orbitals | inline |
get_lmax() const | LCAO_Orbitals | inline |
get_lmax_d() const | LCAO_Orbitals | inline |
get_nchimax() const | LCAO_Orbitals | inline |
get_nchimax_d() const | LCAO_Orbitals | inline |
get_ntype() const | LCAO_Orbitals | inline |
get_rcutmax_Phi() const | LCAO_Orbitals | inline |
get_Rmax() const | LCAO_Orbitals | inline |
init(std::ofstream &ofs_in, const int &ntype, const std::string &orbital_dir, const std::string *orbital_file, const std::string &descriptor_file, const int &lmax, const double &lcao_ecut_in, const double &lcao_dk_in, const double &lcao_dr_in, const double &lcao_rmax_in, const bool &deepks_setorb, const int &out_mat_r, const bool &force_flag, const int &my_rank) | LCAO_Orbitals | |
kmesh | LCAO_Orbitals | private |
LCAO_Orbitals() | LCAO_Orbitals | |
lmax | LCAO_Orbitals | private |
lmax_d | LCAO_Orbitals | private |
nchimax | LCAO_Orbitals | private |
nchimax_d | LCAO_Orbitals | private |
nonlocal_file | LCAO_Orbitals | |
ntype | LCAO_Orbitals | private |
orbital_file | LCAO_Orbitals | |
Phi | LCAO_Orbitals | |
rcutmax_Phi | LCAO_Orbitals | private |
Read_Descriptor(std::ofstream &ofs_in, const bool &force_flag, const int &my_rank) | LCAO_Orbitals | |
read_in_flag | LCAO_Orbitals | |
read_orb_file(std::ofstream &ofs_in, std::ifstream &ifs, const int &it, int &lmax, int &nchimax, Numerical_Orbital *ao, const bool &force_flag, const int &my_rank) | LCAO_Orbitals | private |
Read_Orbitals(std::ofstream &ofs_in, const int &ntype_in, const int &lmax_in, const bool &deepks_setorb, const int &out_mat_r, const bool &force_flag, const int &my_rank) | LCAO_Orbitals | |
Read_PAO(std::ofstream &ofs_in, const int &it, const bool &force_flag, const int &my_rank) | LCAO_Orbitals | |
Rmax | LCAO_Orbitals | |
TwoCenterBundle | LCAO_Orbitals | friend |
~LCAO_Orbitals() | LCAO_Orbitals |