Index

G

GauXC::Atom (C++ struct) GauXC::Atom::Atom (C++ function), [1] GauXC::Atom::x (C++ member) GauXC::Atom::y (C++ member) GauXC::Atom::Z (C++ member) GauXC::Atom::z (C++ member) GauXC::AtomicGridSizeDefault (C++ enum) GauXC::AtomicGridSizeDefault::FineGrid (C++ enumerator) GauXC::AtomicGridSizeDefault::GM3 (C++ enumerator) GauXC::AtomicGridSizeDefault::GM5 (C++ enumerator) GauXC::AtomicGridSizeDefault::SuperFineGrid (C++ enumerator) GauXC::AtomicGridSizeDefault::UltraFineGrid (C++ enumerator) GauXC::BasisSet (C++ struct) GauXC::BasisSet::BasisSet (C++ function), [1], [2] GauXC::BasisSet::nbf (C++ function) GauXC::BasisSet::nbf_cart (C++ function) GauXC::BasisSet::nbf_cart_subset (C++ function) GauXC::BasisSet::nbf_subset (C++ function) GauXC::BasisSet::nshells (C++ function) GauXC::BasisSet::operator= (C++ function), [1] GauXC::DeviceRuntimeEnvironment (C++ class) GauXC::DeviceRuntimeEnvironment::device_backend (C++ function) GauXC::DeviceRuntimeEnvironment::device_memory (C++ function) GauXC::DeviceRuntimeEnvironment::device_memory_size (C++ function) GauXC::DeviceRuntimeEnvironment::DeviceRuntimeEnvironment (C++ function), [1] GauXC::DeviceRuntimeEnvironment::owns_memory (C++ function) GauXC::DeviceRuntimeEnvironment::release_buffer (C++ function) GauXC::DeviceRuntimeEnvironment::set_buffer (C++ function) GauXC::DeviceRuntimeEnvironment::~DeviceRuntimeEnvironment (C++ function) GauXC::ExecutionSpace (C++ enum) GauXC::ExecutionSpace::Device (C++ enumerator) GauXC::ExecutionSpace::Host (C++ enumerator) GauXC::Grid (C++ class) GauXC::Grid::batcher (C++ function), [1] GauXC::Grid::Grid (C++ function), [1], [2] GauXC::Grid::operator= (C++ function), [1] GauXC::Grid::~Grid (C++ function) GauXC::IntegratorSettingsEXC_GRAD (C++ struct) GauXC::IntegratorSettingsEXC_GRAD::include_weight_derivatives (C++ member) GauXC::IntegratorSettingsEXX (C++ struct) GauXC::IntegratorSettingsKS (C++ struct) GauXC::IntegratorSettingsKS::gks_dtol (C++ member) GauXC::IntegratorSettingsSNLinK (C++ struct) GauXC::IntegratorSettingsSNLinK::energy_tol (C++ member) GauXC::IntegratorSettingsSNLinK::k_tol (C++ member) GauXC::IntegratorSettingsSNLinK::screen_ek (C++ member) GauXC::IntegratorSettingsXC (C++ struct) GauXC::LoadBalancer (C++ class) GauXC::LoadBalancer::basis (C++ function) GauXC::LoadBalancer::basis_map (C++ function) GauXC::LoadBalancer::get_tasks (C++ function), [1] GauXC::LoadBalancer::get_timings (C++ function) GauXC::LoadBalancer::LoadBalancer (C++ function), [1], [2], [3] GauXC::LoadBalancer::max_nbe (C++ function) GauXC::LoadBalancer::max_npts (C++ function) GauXC::LoadBalancer::max_npts_x_nbe (C++ function) GauXC::LoadBalancer::molecule (C++ function) GauXC::LoadBalancer::molmeta (C++ function) GauXC::LoadBalancer::operator== (C++ function) GauXC::LoadBalancer::rebalance_exc_vxc (C++ function) GauXC::LoadBalancer::rebalance_exx (C++ function) GauXC::LoadBalancer::rebalance_weights (C++ function) GauXC::LoadBalancer::runtime (C++ function) GauXC::LoadBalancer::shell_pairs (C++ function) GauXC::LoadBalancer::state (C++ function) GauXC::LoadBalancer::total_npts (C++ function) GauXC::LoadBalancer::~LoadBalancer (C++ function) GauXC::LoadBalancerFactory (C++ class) GauXC::LoadBalancerFactory::get_instance (C++ function) GauXC::LoadBalancerFactory::get_shared_instance (C++ function) GauXC::LoadBalancerFactory::LoadBalancerFactory (C++ function) GauXC::MolecularWeights (C++ class) GauXC::MolecularWeights::get_timings (C++ function) GauXC::MolecularWeights::load_balancer_reference (C++ type) GauXC::MolecularWeights::load_balancer_type (C++ type) GauXC::MolecularWeights::modify_weights (C++ function) GauXC::MolecularWeights::MolecularWeights (C++ function), [1], [2], [3] GauXC::MolecularWeights::~MolecularWeights (C++ function) GauXC::MolecularWeightsFactory (C++ class) GauXC::MolecularWeightsFactory::get_instance (C++ function) GauXC::MolecularWeightsFactory::get_shared_instance (C++ function) GauXC::MolecularWeightsFactory::MolecularWeightsFactory (C++ function), [1] GauXC::MolecularWeightsSettings (C++ struct) GauXC::MolecularWeightsSettings::becke_size_adjustment (C++ member) GauXC::MolecularWeightsSettings::weight_alg (C++ member) GauXC::Molecule (C++ class) GauXC::Molecule::maxZ (C++ function) GauXC::Molecule::Molecule (C++ function), [1], [2] GauXC::Molecule::natoms (C++ function)

GauXC::Molecule::operator= (C++ function) GauXC::Molecule::operator== (C++ function) GauXC::MolGrid (C++ class) GauXC::MolGrid::get_grid (C++ function), [1] GauXC::MolGrid::max_nbatches (C++ function) GauXC::MolGrid::MolGrid (C++ function), [1], [2], [3] GauXC::MolGrid::natoms_uniq (C++ function) GauXC::MolGrid::~MolGrid (C++ function) GauXC::PruningScheme (C++ enum) GauXC::PruningScheme::Robust (C++ enumerator) GauXC::PruningScheme::Treutler (C++ enumerator) GauXC::PruningScheme::Unpruned (C++ enumerator) GauXC::RadialQuad (C++ enum) GauXC::RadialQuad::Becke (C++ enumerator) GauXC::RadialQuad::MuraKnowles (C++ enumerator) GauXC::RadialQuad::MurrayHandyLaming (C++ enumerator) GauXC::RadialQuad::TreutlerAhlrichs (C++ enumerator) GauXC::RuntimeEnvironment (C++ class) GauXC::RuntimeEnvironment::comm_rank (C++ function) GauXC::RuntimeEnvironment::comm_size (C++ function) GauXC::RuntimeEnvironment::GAUXC_MPI_CODE (C++ function) GauXC::RuntimeEnvironment::RuntimeEnvironment (C++ function), [1] GauXC::RuntimeEnvironment::shared_usage_count (C++ function) GauXC::RuntimeEnvironment::~RuntimeEnvironment (C++ function) GauXC::Shell (C++ class) GauXC::Shell::alpha (C++ function), [1] GauXC::Shell::alpha_data (C++ function), [1] GauXC::Shell::cart_array (C++ type) GauXC::Shell::cart_size (C++ function) GauXC::Shell::coeff (C++ function), [1] GauXC::Shell::coeff_data (C++ function), [1] GauXC::Shell::cutoff_radius (C++ function) GauXC::Shell::l (C++ function) GauXC::Shell::nprim (C++ function) GauXC::Shell::O (C++ function), [1] GauXC::Shell::O_data (C++ function), [1] GauXC::Shell::operator= (C++ function), [1] GauXC::Shell::operator== (C++ function) GauXC::Shell::prim_array (C++ type) GauXC::Shell::pure (C++ function) GauXC::Shell::pure_size (C++ function) GauXC::Shell::serialize (C++ function) GauXC::Shell::set_pure (C++ function) GauXC::Shell::set_shell_tolerance (C++ function) GauXC::Shell::Shell (C++ function), [1], [2], [3] GauXC::Shell::size (C++ function) GauXC::Shell::~Shell (C++ function) GauXC::XCIntegrator (C++ class) GauXC::XCIntegrator::basisset_type (C++ type) GauXC::XCIntegrator::dd_psi_potential_type (C++ type) GauXC::XCIntegrator::dd_psi_type (C++ type) GauXC::XCIntegrator::eval_dd_psi (C++ function) GauXC::XCIntegrator::eval_dd_psi_potential (C++ function) GauXC::XCIntegrator::eval_exc (C++ function), [1], [2] GauXC::XCIntegrator::eval_exc_grad (C++ function), [1] GauXC::XCIntegrator::eval_exc_vxc (C++ function), [1], [2] GauXC::XCIntegrator::eval_exx (C++ function) GauXC::XCIntegrator::eval_fxc_contraction (C++ function), [1] GauXC::XCIntegrator::exc_grad_type (C++ type) GauXC::XCIntegrator::exc_vxc_type_gks (C++ type) GauXC::XCIntegrator::exc_vxc_type_rks (C++ type) GauXC::XCIntegrator::exc_vxc_type_uks (C++ type) GauXC::XCIntegrator::exx_type (C++ type) GauXC::XCIntegrator::fxc_contraction_type_rks (C++ type) GauXC::XCIntegrator::fxc_contraction_type_uks (C++ type) GauXC::XCIntegrator::get_timings (C++ function) GauXC::XCIntegrator::integrate_den (C++ function) GauXC::XCIntegrator::load_balancer (C++ function), [1] GauXC::XCIntegrator::matrix_type (C++ type) GauXC::XCIntegrator::value_type (C++ type) GauXC::XCIntegrator::XCIntegrator (C++ function), [1], [2], [3] GauXC::XCIntegrator::~XCIntegrator (C++ function) GauXC::XCIntegratorFactory (C++ class) GauXC::XCIntegratorFactory::get_shared_instance (C++ function) GauXC::XCIntegratorFactory::XCIntegratorFactory (C++ function) GAUXC_CPU_SNLINK_MAX_AM (C macro) GAUXC_CPU_XC_MAX_AM (C macro) GAUXC_GPU_SNLINK_MAX_AM (C macro) GAUXC_GPU_XC_MAX_AM (C macro) GAUXC_HAS_CUDA (C macro) GAUXC_HAS_CUTLASS (C macro) GAUXC_HAS_DEVICE (C macro) GAUXC_HAS_GAU2GRID (C macro) GAUXC_HAS_HDF5 (C macro) GAUXC_HAS_HIP (C macro) GAUXC_HAS_HOST (C macro) GAUXC_HAS_MAGMA (C macro) GAUXC_HAS_MPI (C macro) GAUXC_HAS_NCCL (C macro)