ABACUS-module_ORB
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ORB API
ABACUS-module_ORB
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B
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C
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E
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H
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J
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N
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O
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P
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T
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U
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W
A
author (conf attribute)
B
breathe_default_project (conf attribute)
breathe_projects (conf attribute)
C
chinese (conf attribute)
context (conf attribute)
copyright (conf attribute)
E
exclude_patterns (conf attribute)
exhale_args (conf attribute)
extensions (conf attribute)
H
highlight_language (conf attribute)
html_baseurl (conf attribute)
html_context (conf attribute)
html_static_path (conf attribute)
html_style (conf attribute)
html_theme (conf attribute)
html_theme_options (conf attribute)
html_theme_path (conf attribute)
J
japanese (conf attribute)
L
language_user (conf attribute)
latex_elements (conf attribute)
latex_elements_rtd (conf attribute)
latex_elements_user (conf attribute)
latex_engine (conf attribute)
latex_engine_user (conf attribute)
latex_use_xindy (conf attribute)
LCAO_Orbitals (C++ class)
LCAO_Orbitals::Alpha (C++ member)
LCAO_Orbitals::Beta (C++ member)
LCAO_Orbitals::descriptor_file (C++ member)
LCAO_Orbitals::dk (C++ member)
LCAO_Orbitals::dR (C++ member)
LCAO_Orbitals::dr_uniform (C++ member)
LCAO_Orbitals::ecutwfc (C++ member)
LCAO_Orbitals::get_dk (C++ function)
LCAO_Orbitals::get_dR (C++ function)
LCAO_Orbitals::get_dr_uniform (C++ function)
LCAO_Orbitals::get_ecutwfc (C++ function)
LCAO_Orbitals::get_kmesh (C++ function)
LCAO_Orbitals::get_lmax (C++ function)
LCAO_Orbitals::get_lmax_d (C++ function)
LCAO_Orbitals::get_nchimax (C++ function)
LCAO_Orbitals::get_nchimax_d (C++ function)
LCAO_Orbitals::get_ntype (C++ function)
LCAO_Orbitals::get_rcutmax_Beta (C++ function)
LCAO_Orbitals::get_rcutmax_Phi (C++ function)
LCAO_Orbitals::get_Rmax (C++ function)
LCAO_Orbitals::LCAO_Orbitals (C++ function)
LCAO_Orbitals::nonlocal_file (C++ member)
LCAO_Orbitals::nproj (C++ member)
LCAO_Orbitals::nprojmax (C++ member)
LCAO_Orbitals::orbital_file (C++ member)
LCAO_Orbitals::Phi (C++ member)
LCAO_Orbitals::Read_Descriptor (C++ function)
LCAO_Orbitals::read_in_flag (C++ member)
LCAO_Orbitals::Read_NonLocal (C++ function)
LCAO_Orbitals::Read_Orbitals (C++ function)
LCAO_Orbitals::Read_PAO (C++ function)
LCAO_Orbitals::Rmax (C++ member)
LCAO_Orbitals::Set_NonLocal (C++ function)
LCAO_Orbitals::~LCAO_Orbitals (C++ function)
N
Numerical_Nonlocal (C++ class)
Numerical_Nonlocal::get_rcut_max (C++ function)
Numerical_Nonlocal::getLabel (C++ function)
Numerical_Nonlocal::getLmax (C++ function)
Numerical_Nonlocal::getType (C++ function)
Numerical_Nonlocal::getType_ps (C++ function)
Numerical_Nonlocal::Numerical_Nonlocal (C++ function)
Numerical_Nonlocal::Proj (C++ member)
Numerical_Nonlocal::set_type_info (C++ function)
Numerical_Nonlocal::~Numerical_Nonlocal (C++ function)
Numerical_Nonlocal_Lm (C++ class)
Numerical_Nonlocal_Lm::beta_uniform (C++ member)
Numerical_Nonlocal_Lm::dbeta_uniform (C++ member)
Numerical_Nonlocal_Lm::dr_uniform (C++ member)
Numerical_Nonlocal_Lm::getBeta_k (C++ function)
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[1]
Numerical_Nonlocal_Lm::getBeta_r (C++ function)
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[1]
Numerical_Nonlocal_Lm::getDk (C++ function)
Numerical_Nonlocal_Lm::getKpoint (C++ function)
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[1]
Numerical_Nonlocal_Lm::getL (C++ function)
Numerical_Nonlocal_Lm::getRadial (C++ function)
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[1]
Numerical_Nonlocal_Lm::getRcut (C++ function)
Numerical_Nonlocal_Lm::getType (C++ function)
Numerical_Nonlocal_Lm::nr_uniform (C++ member)
Numerical_Nonlocal_Lm::Numerical_Nonlocal_Lm (C++ function)
Numerical_Nonlocal_Lm::operator= (C++ function)
Numerical_Nonlocal_Lm::plot (C++ function)
Numerical_Nonlocal_Lm::set_NL_proj (C++ function)
Numerical_Nonlocal_Lm::~Numerical_Nonlocal_Lm (C++ function)
Numerical_Orbital (C++ class)
Numerical_Orbital::get_distance (C++ function)
Numerical_Orbital::getdR (C++ function)
Numerical_Orbital::getLabel (C++ function)
Numerical_Orbital::getLmax (C++ function)
Numerical_Orbital::getNchi (C++ function)
Numerical_Orbital::getR1 (C++ function)
Numerical_Orbital::getR2 (C++ function)
Numerical_Orbital::getRcut (C++ function)
Numerical_Orbital::getTotal_nchi (C++ function)
Numerical_Orbital::getType (C++ function)
Numerical_Orbital::getX (C++ function)
Numerical_Orbital::getY (C++ function)
Numerical_Orbital::getZ (C++ function)
Numerical_Orbital::Numerical_Orbital (C++ function)
Numerical_Orbital::PhiLN (C++ function)
Numerical_Orbital::set_orbital_info (C++ function)
Numerical_Orbital::set_position (C++ function)
Numerical_Orbital::~Numerical_Orbital (C++ function)
Numerical_Orbital_Lm (C++ class)
Numerical_Orbital_Lm::dpsi_uniform (C++ member)
Numerical_Orbital_Lm::dr_uniform (C++ member)
Numerical_Orbital_Lm::get_k_radial (C++ function)
Numerical_Orbital_Lm::get_psi (C++ function)
Numerical_Orbital_Lm::get_psi_k (C++ function)
Numerical_Orbital_Lm::get_psi_k2 (C++ function)
Numerical_Orbital_Lm::get_psif (C++ function)
Numerical_Orbital_Lm::get_r_radial (C++ function)
Numerical_Orbital_Lm::get_rab (C++ function)
Numerical_Orbital_Lm::getChi (C++ function)
Numerical_Orbital_Lm::getDk (C++ function)
Numerical_Orbital_Lm::getDpsiuniform (C++ function)
Numerical_Orbital_Lm::getDruniform (C++ function)
Numerical_Orbital_Lm::getKcut (C++ function)
Numerical_Orbital_Lm::getKpoint (C++ function)
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[1]
Numerical_Orbital_Lm::getL (C++ function)
Numerical_Orbital_Lm::getLabel (C++ function)
Numerical_Orbital_Lm::getNk (C++ function)
Numerical_Orbital_Lm::getNr (C++ function)
Numerical_Orbital_Lm::getNruniform (C++ function)
Numerical_Orbital_Lm::getPsi (C++ function)
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[1]
Numerical_Orbital_Lm::getPsi_k (C++ function)
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[1]
Numerical_Orbital_Lm::getPsi_k2 (C++ function)
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[1]
Numerical_Orbital_Lm::getPsi_r (C++ function)
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[1]
Numerical_Orbital_Lm::getPsif (C++ function)
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[1]
Numerical_Orbital_Lm::getPsiuniform (C++ function)
Numerical_Orbital_Lm::getRab (C++ function)
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[1]
Numerical_Orbital_Lm::getRadial (C++ function)
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[1]
Numerical_Orbital_Lm::getRcut (C++ function)
Numerical_Orbital_Lm::getType (C++ function)
Numerical_Orbital_Lm::nr_uniform (C++ member)
Numerical_Orbital_Lm::Numerical_Orbital_Lm (C++ function)
Numerical_Orbital_Lm::Psi_Type (C++ enum)
Numerical_Orbital_Lm::Psi_Type::Psi (C++ enumerator)
Numerical_Orbital_Lm::Psi_Type::Psif (C++ enumerator)
Numerical_Orbital_Lm::Psi_Type::Psik (C++ enumerator)
Numerical_Orbital_Lm::Psi_Type::Psik2 (C++ enumerator)
Numerical_Orbital_Lm::psi_uniform (C++ member)
Numerical_Orbital_Lm::set_orbital_info (C++ function)
Numerical_Orbital_Lm::zty (C++ member)
Numerical_Orbital_Lm::~Numerical_Orbital_Lm (C++ function)
O
ORB (C++ member)
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[1]
ORB_control (C++ class)
ORB_control::clear_after_ions (C++ function)
ORB_control::ORB_control (C++ function)
ORB_control::set_orb_tables (C++ function)
ORB_control::~ORB_control (C++ function)
ORB_gaunt_table (C++ class)
ORB_gaunt_table::Cal_Gaunt_single (C++ function)
ORB_gaunt_table::Calc_Gaunt_CH (C++ function)
ORB_gaunt_table::Gaunt_Coefficients (C++ member)
ORB_gaunt_table::Get_Gaunt_CH (C++ function)
ORB_gaunt_table::Get_Gaunt_SH (C++ function)
ORB_gaunt_table::get_lm_index (C++ function)
ORB_gaunt_table::Index_M (C++ function)
ORB_gaunt_table::init_Gaunt (C++ function)
ORB_gaunt_table::init_Gaunt_CH (C++ function)
ORB_gaunt_table::init_Ylm_Gaunt (C++ function)
ORB_gaunt_table::ORB_gaunt_table (C++ function)
ORB_gaunt_table::~ORB_gaunt_table (C++ function)
ORB_gen_tables (C++ class)
ORB_gen_tables::gen_tables (C++ function)
ORB_gen_tables::MOT (C++ member)
ORB_gen_tables::ORB_gen_tables (C++ function)
ORB_gen_tables::set_unit (C++ function)
ORB_gen_tables::snap_psibeta (C++ function)
ORB_gen_tables::snap_psipsi (C++ function)
ORB_gen_tables::talpha (C++ member)
ORB_gen_tables::tbeta (C++ member)
ORB_gen_tables::~ORB_gen_tables (C++ function)
ORB_table_alpha (C++ class)
ORB_table_alpha::allocate (C++ function)
ORB_table_alpha::destroy_nr (C++ member)
ORB_table_alpha::Destroy_Table_Alpha (C++ function)
ORB_table_alpha::dr (C++ member)
ORB_table_alpha::DS_2Lplus1 (C++ member)
ORB_table_alpha::DS_Opair (C++ member)
ORB_table_alpha::get_rmesh (C++ function)
ORB_table_alpha::init_DS_2Lplus1 (C++ function)
ORB_table_alpha::init_DS_Opair (C++ function)
ORB_table_alpha::init_Table_Alpha (C++ function)
ORB_table_alpha::lmax (C++ member)
ORB_table_alpha::ntype (C++ member)
ORB_table_alpha::ORB_table_alpha (C++ function)
ORB_table_alpha::Rmesh (C++ member)
ORB_table_alpha::Table_DSR (C++ member)
ORB_table_alpha::~ORB_table_alpha (C++ function)
ORB_table_beta (C++ class)
ORB_table_beta::allocate (C++ function)
ORB_table_beta::destroy_nr (C++ member)
ORB_table_beta::Destroy_Table_Beta (C++ function)
ORB_table_beta::dr (C++ member)
ORB_table_beta::get_rmesh (C++ function)
ORB_table_beta::init_NL_Opair (C++ function)
ORB_table_beta::init_NL_Tpair (C++ function)
ORB_table_beta::init_Table_Beta (C++ function)
ORB_table_beta::NL_L2plus1 (C++ member)
ORB_table_beta::NL_nTpairs (C++ member)
ORB_table_beta::NL_Opair (C++ member)
ORB_table_beta::NL_Tpair (C++ member)
ORB_table_beta::ORB_table_beta (C++ function)
ORB_table_beta::Rmesh (C++ member)
ORB_table_beta::Table_NR (C++ member)
ORB_table_beta::~ORB_table_beta (C++ function)
ORB_table_phi (C++ class)
ORB_table_phi::allocate (C++ function)
ORB_table_phi::cal_ST_Phi12_R (C++ function)
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[1]
ORB_table_phi::destroy_sr (C++ member)
ORB_table_phi::Destroy_Table (C++ function)
ORB_table_phi::destroy_tr (C++ member)
ORB_table_phi::dr (C++ member)
ORB_table_phi::get_rmesh (C++ function)
ORB_table_phi::init_Lmax (C++ function)
ORB_table_phi::init_OV_Opair (C++ function)
ORB_table_phi::init_OV_Tpair (C++ function)
ORB_table_phi::init_Table (C++ function)
ORB_table_phi::init_Table_Spherical_Bessel (C++ function)
ORB_table_phi::ORB_table_phi (C++ function)
ORB_table_phi::OV_L2plus1 (C++ member)
ORB_table_phi::OV_nTpairs (C++ member)
ORB_table_phi::OV_Opair (C++ member)
ORB_table_phi::OV_Tpair (C++ member)
ORB_table_phi::pSB (C++ member)
ORB_table_phi::Rmesh (C++ member)
ORB_table_phi::Table_SR (C++ member)
ORB_table_phi::Table_TR (C++ member)
ORB_table_phi::~ORB_table_phi (C++ function)
P
primary_domain (conf attribute)
project (conf attribute)
project_language (conf attribute)
PY3 (conf attribute)
R
readthedocs_build_url (conf attribute)
readthedocs_vcs_url (conf attribute)
release (conf attribute)
S
string_types (conf attribute)
SUFFIX (conf attribute)
T
templates_path (conf attribute)
theme (conf attribute)
U
UOT (C++ member)
,
[1]
using_rtd_theme (conf attribute)
W
websupport2_base_url (conf attribute)
websupport2_static_url (conf attribute)
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