inq
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Contents:
Introduction
Compilation and Installation
Units
Tutorials
Theory
Code
inq
Code Repository
Index
I
I
inq (C++ type)
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[1]
inq::hamiltonian (C++ type)
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[1]
inq::hamiltonian::atomic_potential (C++ class)
inq::hamiltonian::atomic_potential::atomic_electronic_density (C++ function)
inq::hamiltonian::atomic_potential::atomic_potential (C++ function)
inq::hamiltonian::atomic_potential::double_grid (C++ function)
inq::hamiltonian::atomic_potential::double_grid_ (C++ member)
inq::hamiltonian::atomic_potential::fourier_pseudo (C++ function)
inq::hamiltonian::atomic_potential::fourier_pseudo_ (C++ member)
inq::hamiltonian::atomic_potential::has_nlcc (C++ function)
inq::hamiltonian::atomic_potential::has_nlcc_ (C++ member)
inq::hamiltonian::atomic_potential::info (C++ function)
inq::hamiltonian::atomic_potential::ionic_density (C++ function)
inq::hamiltonian::atomic_potential::local_potential (C++ function)
inq::hamiltonian::atomic_potential::natoms_ (C++ member)
inq::hamiltonian::atomic_potential::nelectrons_ (C++ member)
inq::hamiltonian::atomic_potential::nlcc_density (C++ function)
inq::hamiltonian::atomic_potential::num_electrons (C++ function)
inq::hamiltonian::atomic_potential::num_species (C++ function)
inq::hamiltonian::atomic_potential::pseudo_for_element (C++ function)
inq::hamiltonian::atomic_potential::pseudo_set_ (C++ member)
inq::hamiltonian::atomic_potential::pseudopotential_list_ (C++ member)
inq::hamiltonian::atomic_potential::pseudopotential_type (C++ type)
inq::hamiltonian::atomic_potential::range_separation (C++ function)
inq::hamiltonian::atomic_potential::sep_ (C++ member)
inq::hamiltonian::calculate_forces (C++ function)
inq::hamiltonian::energy (C++ class)
inq::hamiltonian::energy::calculate (C++ function)
inq::hamiltonian::energy::eigenvalues (C++ function)
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[1]
inq::hamiltonian::energy::eigenvalues_ (C++ member)
inq::hamiltonian::energy::energy (C++ function)
inq::hamiltonian::energy::external (C++ function)
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[1]
inq::hamiltonian::energy::external_ (C++ member)
inq::hamiltonian::energy::hartree (C++ function)
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[1]
inq::hamiltonian::energy::hartree_ (C++ member)
inq::hamiltonian::energy::hf_exchange (C++ function)
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[1]
inq::hamiltonian::energy::hf_exchange_ (C++ member)
inq::hamiltonian::energy::ion (C++ function)
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[1]
inq::hamiltonian::energy::ion_ (C++ member)
inq::hamiltonian::energy::ion_kinetic (C++ function)
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[1]
inq::hamiltonian::energy::ion_kinetic_ (C++ member)
inq::hamiltonian::energy::kinetic (C++ function)
inq::hamiltonian::energy::nonlocal (C++ function)
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[1]
inq::hamiltonian::energy::nonlocal_ (C++ member)
inq::hamiltonian::energy::nvxc (C++ function)
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[1]
inq::hamiltonian::energy::nvxc_ (C++ member)
inq::hamiltonian::energy::operator<< (C++ function)
inq::hamiltonian::energy::print (C++ function)
inq::hamiltonian::energy::total (C++ function)
inq::hamiltonian::energy::xc (C++ function)
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[1]
inq::hamiltonian::energy::xc_ (C++ member)
inq::hamiltonian::exchange_operator (C++ class)
inq::hamiltonian::exchange_operator::ace (C++ function)
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[1]
inq::hamiltonian::exchange_operator::ace_orbitals_ (C++ member)
inq::hamiltonian::exchange_operator::block_exchange (C++ function)
inq::hamiltonian::exchange_operator::direct (C++ function)
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[1]
inq::hamiltonian::exchange_operator::enabled (C++ function)
inq::hamiltonian::exchange_operator::exchange_coefficient_ (C++ member)
inq::hamiltonian::exchange_operator::exchange_operator (C++ function)
inq::hamiltonian::exchange_operator::kpoint_indices_ (C++ member)
inq::hamiltonian::exchange_operator::kpoints_ (C++ member)
inq::hamiltonian::exchange_operator::occupations_ (C++ member)
inq::hamiltonian::exchange_operator::operator() (C++ function)
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[1]
inq::hamiltonian::exchange_operator::orbital_index_ (C++ member)
inq::hamiltonian::exchange_operator::orbitals_ (C++ member)
inq::hamiltonian::exchange_operator::poisson_solver_ (C++ member)
inq::hamiltonian::exchange_operator::sing_ (C++ member)
inq::hamiltonian::exchange_operator::update (C++ function)
inq::hamiltonian::exchange_operator::use_ace_ (C++ member)
inq::hamiltonian::ks_hamiltonian (C++ class)
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[1]
inq::hamiltonian::ks_hamiltonian::exchange (C++ member)
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[1]
inq::hamiltonian::ks_hamiltonian::info (C++ function)
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[1]
inq::hamiltonian::ks_hamiltonian::ks_hamiltonian (C++ function)
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[1]
inq::hamiltonian::ks_hamiltonian::momentum (C++ function)
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[1]
inq::hamiltonian::ks_hamiltonian::non_local (C++ function)
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[2]
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[3]
inq::hamiltonian::ks_hamiltonian::non_local_in_fourier_ (C++ member)
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[1]
inq::hamiltonian::ks_hamiltonian::operator() (C++ function)
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[1]
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[2]
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[3]
inq::hamiltonian::ks_hamiltonian::potential_type (C++ type)
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[1]
inq::hamiltonian::ks_hamiltonian::projectors_all (C++ function)
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[1]
inq::hamiltonian::ks_hamiltonian::projectors_all_ (C++ member)
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[1]
inq::hamiltonian::ks_hamiltonian::projectors_fourier_ (C++ member)
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[1]
inq::hamiltonian::ks_hamiltonian::projectors_fourier_map_ (C++ member)
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[1]
inq::hamiltonian::ks_hamiltonian::scalar_potential (C++ function)
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[1]
inq::hamiltonian::ks_hamiltonian::scalar_potential_ (C++ member)
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[1]
inq::hamiltonian::ks_hamiltonian::states_ (C++ member)
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[1]
inq::hamiltonian::ks_hamiltonian::uniform_vector_potential (C++ function)
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[1]
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[2]
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[3]
inq::hamiltonian::ks_hamiltonian::uniform_vector_potential_ (C++ member)
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[1]
inq::hamiltonian::ks_hamiltonian::update_projectors (C++ function)
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[1]
inq::hamiltonian::loc_pot (C++ struct)
inq::hamiltonian::loc_pot::gdensityp (C++ member)
inq::hamiltonian::loc_pot::operator() (C++ function)
inq::hamiltonian::loc_pot::v1 (C++ member)
inq::hamiltonian::loc_pot::v2 (C++ member)
inq::hamiltonian::projector (C++ class)
inq::hamiltonian::projector::build (C++ function)
inq::hamiltonian::projector::empty (C++ function)
inq::hamiltonian::projector::force_term (C++ struct)
inq::hamiltonian::projector::force_term::gphi (C++ member)
inq::hamiltonian::projector::force_term::oc (C++ member)
inq::hamiltonian::projector::force_term::operator() (C++ function)
inq::hamiltonian::projector::force_term::phi (C++ member)
inq::hamiltonian::projector::iatom (C++ function)
inq::hamiltonian::projector::iatom_ (C++ member)
inq::hamiltonian::projector::kb_coeff (C++ function)
inq::hamiltonian::projector::kb_coeff_ (C++ member)
inq::hamiltonian::projector::locally_empty (C++ function)
inq::hamiltonian::projector::matrix (C++ function)
inq::hamiltonian::projector::matrix_ (C++ member)
inq::hamiltonian::projector::nproj_ (C++ member)
inq::hamiltonian::projector::num_projectors (C++ function)
inq::hamiltonian::projector::projector (C++ function)
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[1]
inq::hamiltonian::projector::sphere (C++ function)
inq::hamiltonian::projector::sphere_ (C++ member)
inq::hamiltonian::projector_all (C++ class)
inq::hamiltonian::projector_all::apply (C++ function)
inq::hamiltonian::projector_all::coeff_ (C++ member)
inq::hamiltonian::projector_all::constructor (C++ function)
inq::hamiltonian::projector_all::force (C++ function)
inq::hamiltonian::projector_all::force_term (C++ struct)
inq::hamiltonian::projector_all::force_term::gphi (C++ member)
inq::hamiltonian::projector_all::force_term::oc (C++ member)
inq::hamiltonian::projector_all::force_term::operator() (C++ function)
inq::hamiltonian::projector_all::force_term::phi (C++ member)
inq::hamiltonian::projector_all::iatom_ (C++ member)
inq::hamiltonian::projector_all::locally_empty_ (C++ member)
inq::hamiltonian::projector_all::matrices_ (C++ member)
inq::hamiltonian::projector_all::max_nlm_ (C++ member)
inq::hamiltonian::projector_all::max_sphere_size_ (C++ member)
inq::hamiltonian::projector_all::nlm_ (C++ member)
inq::hamiltonian::projector_all::nprojs_ (C++ member)
inq::hamiltonian::projector_all::points_ (C++ member)
inq::hamiltonian::projector_all::position_commutator (C++ function)
inq::hamiltonian::projector_all::positions_ (C++ member)
inq::hamiltonian::projector_all::project (C++ function)
inq::hamiltonian::projector_all::projector_all (C++ function)
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[1]
inq::hamiltonian::projector_fourier (C++ class)
inq::hamiltonian::projector_fourier::add_coord (C++ function)
inq::hamiltonian::projector_fourier::beta_ (C++ member)
inq::hamiltonian::projector_fourier::coords_ (C++ member)
inq::hamiltonian::projector_fourier::kb_coeff (C++ function)
inq::hamiltonian::projector_fourier::kb_coeff_ (C++ member)
inq::hamiltonian::projector_fourier::nproj_ (C++ member)
inq::hamiltonian::projector_fourier::num_projectors (C++ function)
inq::hamiltonian::projector_fourier::operator() (C++ function)
inq::hamiltonian::projector_fourier::projector_fourier (C++ function)
inq::hamiltonian::scalar_potential (C++ function)
inq::hamiltonian::scalar_potential_add (C++ function)
inq::hamiltonian::self_consistency (C++ class)
inq::hamiltonian::self_consistency::core_density_ (C++ member)
inq::hamiltonian::self_consistency::density_basis_ (C++ member)
inq::hamiltonian::self_consistency::exx_coefficient (C++ function)
inq::hamiltonian::self_consistency::has_induced_vector_potential (C++ function)
inq::hamiltonian::self_consistency::induced_vector_potential_ (C++ member)
inq::hamiltonian::self_consistency::induced_vector_potential_vel_ (C++ member)
inq::hamiltonian::self_consistency::pert_ (C++ member)
inq::hamiltonian::self_consistency::potential_basis_ (C++ member)
inq::hamiltonian::self_consistency::propagate_induced_vector_potential (C++ function)
inq::hamiltonian::self_consistency::propagate_induced_vector_potential_derivative (C++ function)
inq::hamiltonian::self_consistency::self_consistency (C++ function)
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[1]
inq::hamiltonian::self_consistency::theory_ (C++ member)
inq::hamiltonian::self_consistency::update_hamiltonian (C++ function)
inq::hamiltonian::self_consistency::update_ionic_fields (C++ function)
inq::hamiltonian::self_consistency::vion_ (C++ member)
inq::hamiltonian::self_consistency::xc_ (C++ member)
inq::hamiltonian::singularity_correction (C++ class)
inq::hamiltonian::singularity_correction::auxiliary (C++ function)
inq::hamiltonian::singularity_correction::cell_volume_ (C++ member)
inq::hamiltonian::singularity_correction::fk (C++ function)
inq::hamiltonian::singularity_correction::fk_ (C++ member)
inq::hamiltonian::singularity_correction::fzero (C++ function)
inq::hamiltonian::singularity_correction::fzero_ (C++ member)
inq::hamiltonian::singularity_correction::nkpoints_ (C++ member)
inq::hamiltonian::singularity_correction::operator() (C++ function)
inq::hamiltonian::singularity_correction::singularity_correction (C++ function)
inq::hamiltonian::xc_functional (C++ class)
inq::hamiltonian::xc_functional::exx_coefficient (C++ function)
inq::hamiltonian::xc_functional::family (C++ function)
inq::hamiltonian::xc_functional::func_ (C++ member)
inq::hamiltonian::xc_functional::id_ (C++ member)
inq::hamiltonian::xc_functional::libxc_func (C++ function)
inq::hamiltonian::xc_functional::libxc_func_ptr (C++ function)
inq::hamiltonian::xc_functional::nspin_ (C++ member)
inq::hamiltonian::xc_functional::operator= (C++ function)
inq::hamiltonian::xc_functional::requires_gradient (C++ function)
inq::hamiltonian::xc_functional::true_functional (C++ function)
inq::hamiltonian::xc_functional::xc_functional (C++ function)
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inq::hamiltonian::xc_functional::~xc_functional (C++ function)
inq::hamiltonian::xc_term (C++ class)
inq::hamiltonian::xc_term::correlation_ (C++ member)
inq::hamiltonian::xc_term::evaluate_functional (C++ function)
inq::hamiltonian::xc_term::exchange (C++ function)
inq::hamiltonian::xc_term::exchange_ (C++ member)
inq::hamiltonian::xc_term::operator() (C++ function)
inq::hamiltonian::xc_term::process_density (C++ function)
inq::hamiltonian::xc_term::xc_term (C++ function)
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