Index

A

ASSERT (C macro)

F

fly::add_atoms (C++ function) fly::always_false (C++ member) fly::Arr (C++ type) fly::builtin_properties (C++ type) fly::builtin_properties::a_ (C++ member) fly::builtin_properties::Acceleration (C++ struct) fly::builtin_properties::ax_ (C++ member) fly::builtin_properties::Axis (C++ struct) fly::builtin_properties::Charge (C++ struct) fly::builtin_properties::col_ (C++ member) fly::builtin_properties::Colour (C++ struct) fly::builtin_properties::d_ (C++ member) fly::builtin_properties::del_ (C++ member) fly::builtin_properties::Delta (C++ struct) fly::builtin_properties::Diameter (C++ struct) fly::builtin_properties::Frozen (C++ struct) fly::builtin_properties::fzn_ (C++ member) fly::builtin_properties::g_ (C++ member) fly::builtin_properties::Hash (C++ struct) fly::builtin_properties::hash_ (C++ member) fly::builtin_properties::I_ (C++ member) fly::builtin_properties::i_ (C++ member) fly::builtin_properties::id_ (C++ member) fly::builtin_properties::Image (C++ struct) fly::builtin_properties::img_ (C++ member) fly::builtin_properties::Index (C++ struct) fly::builtin_properties::m_ (C++ member) fly::builtin_properties::Mass (C++ struct) fly::builtin_properties::MomentInertia (C++ struct) fly::builtin_properties::Position (C++ struct) fly::builtin_properties::PotentialGradient (C++ struct) fly::builtin_properties::q_ (C++ member) fly::builtin_properties::r_ (C++ member) fly::builtin_properties::tp_ (C++ member) fly::builtin_properties::Type (C++ struct) fly::builtin_properties::TypeID (C++ struct) fly::builtin_properties::v_ (C++ member) fly::builtin_properties::Velocity (C++ struct) fly::centroid (C++ function) fly::centroid_align (C++ function) fly::Defer (C++ class) fly::Defer::Defer (C++ function), [1], [2] fly::Defer::operator= (C++ function), [1] fly::Defer::~Defer (C++ function) fly::detected_or_t (C++ type) fly::DetectVacancies (C++ class) fly::DetectVacancies::detect_vacancies (C++ function) fly::DetectVacancies::DetectVacancies (C++ function) fly::dprint (C++ function) fly::env::canon_hash (C++ function) fly::env::Catalogue (C++ class) fly::env::Catalogue::calc_self_syms (C++ function) fly::env::Catalogue::Catalogue (C++ function), [1] fly::env::Catalogue::dump (C++ function) fly::env::Catalogue::Env (C++ struct) fly::env::Catalogue::Env::cat_index (C++ function) fly::env::Catalogue::Env::delta_max (C++ function) fly::env::Catalogue::Env::Env (C++ function) fly::env::Catalogue::Env::get_mechs (C++ function) fly::env::Catalogue::Env::ref_geo (C++ function) fly::env::Catalogue::Env::serialize (C++ function) fly::env::Catalogue::get_geo (C++ function) fly::env::Catalogue::get_ref (C++ function) fly::env::Catalogue::num_keys (C++ function) fly::env::Catalogue::optimize (C++ function) fly::env::Catalogue::Options (C++ struct) fly::env::Catalogue::Options::debug (C++ member) fly::env::Catalogue::Options::delta_max (C++ member) fly::env::Catalogue::Options::min_delta_max (C++ member) fly::env::Catalogue::Options::overfuzz (C++ member) fly::env::Catalogue::Options::r_edge (C++ member) fly::env::Catalogue::Options::r_env (C++ member) fly::env::Catalogue::Options::serialize (C++ function) fly::env::Catalogue::rebuild (C++ function) fly::env::Catalogue::reconstruct (C++ function) fly::env::Catalogue::refine_tol (C++ function) fly::env::Catalogue::SelfSymetry (C++ struct) fly::env::Catalogue::SelfSymetry::O (C++ member) fly::env::Catalogue::SelfSymetry::perm (C++ member) fly::env::Catalogue::serialize (C++ function) fly::env::Catalogue::set_mechs (C++ function) fly::env::Catalogue::size (C++ function) fly::env::centroid (C++ function) fly::env::Fingerprint (C++ class) fly::env::Fingerprint::equiv (C++ function) fly::env::Fingerprint::r_min (C++ function) fly::env::Fingerprint::rebuild (C++ function) fly::env::Fingerprint::serialize (C++ function) fly::env::for_equiv_perms (C++ function) fly::env::Geometry (C++ class) fly::env::Geometry::best_perm_onto (C++ function) fly::env::Geometry::centre (C++ function) fly::env::Geometry::GeoInfo (C++ struct) fly::env::Geometry::GeoInfo::O (C++ member) fly::env::Geometry::GeoInfo::rmsd (C++ member) fly::env::Geometry::permute_onto (C++ function) fly::env::Geometry::serialize (C++ function) fly::env::grmsd (C++ function) fly::env::Mechanism (C++ class) fly::env::Mechanism::axis (C++ member) fly::env::Mechanism::barrier (C++ member) fly::env::Mechanism::delta (C++ member) fly::env::Mechanism::delta_fwd (C++ member) fly::env::Mechanism::delta_sp (C++ member) fly::env::Mechanism::err_fwd (C++ member) fly::env::Mechanism::err_sp (C++ member) fly::env::Mechanism::kinetic_pre (C++ member) fly::env::Mechanism::poison_fwd (C++ member) fly::env::Mechanism::poison_sp (C++ member) fly::env::Mechanism::serialize (C++ function) fly::env::ortho_onto (C++ function) fly::env::rmsd (C++ function) fly::error (C++ function) fly::first_t (C++ type) fly::gdot (C++ function) fly::gnorm (C++ function) fly::gnorm_sq (C++ function) fly::hyperplane_normal (C++ function) fly::io::BinaryFile (C++ class) fly::io::BinaryFile::BinaryFile (C++ function) fly::io::BinaryFile::clear (C++ function) fly::io::BinaryFile::commit (C++ function) fly::io::BinaryFile::n_frames (C++ function) fly::io::BinaryFile::read (C++ function) fly::io::BinaryFile::read_box (C++ function) fly::io::BinaryFile::read_map (C++ function) fly::io::BinaryFile::read_to (C++ function) fly::io::BinaryFile::write (C++ function), [1], [2], [3] fly::io::BinaryFile::~BinaryFile (C++ function) fly::io::Flags (C++ enum) fly::io::Flags::create (C++ enumerator) fly::io::Flags::read_only (C++ enumerator) fly::io::Flags::read_write (C++ enumerator) fly::ipow (C++ function) fly::is_detected_v (C++ member) fly::is_narrowing_conversion_v (C++ member) fly::kinetic::Basin (C++ class) fly::kinetic::Basin::Basin (C++ function) fly::kinetic::Basin::Choice (C++ class) fly::kinetic::Basin::Choice::atom (C++ member) fly::kinetic::Basin::Choice::dt (C++ member) fly::kinetic::Basin::Choice::mech (C++ member) fly::kinetic::Basin::kmc_choice (C++ function) fly::kinetic::Basin::most_likely (C++ function) fly::kinetic::Basin::Options (C++ struct) fly::kinetic::Basin::Options::debug (C++ member) fly::kinetic::Basin::Options::max_barrier (C++ member) fly::kinetic::Basin::Options::temp (C++ member) fly::kinetic::Basin::rate_sum (C++ function) fly::kinetic::Basin::state (C++ function) fly::kinetic::hash (C++ function) fly::kinetic::SKMC (C++ class) fly::kinetic::SKMC::Options (C++ struct) fly::kinetic::SKMC::Options::debug (C++ member) fly::kinetic::SKMC::Options::fread (C++ member) fly::kinetic::SKMC::Options::fwrite (C++ member) fly::kinetic::SKMC::Options::opt_cache (C++ member) fly::kinetic::SKMC::Options::opt_master (C++ member) fly::kinetic::SKMC::SKMC (C++ function) fly::kinetic::SKMC::skmc (C++ function) fly::kinetic::SuperBasin (C++ class) fly::kinetic::SuperBasin::Choice (C++ class) fly::kinetic::SuperBasin::Choice::atom (C++ member) fly::kinetic::SuperBasin::Choice::basin (C++ member) fly::kinetic::SuperBasin::Choice::basin_changed (C++ member) fly::kinetic::SuperBasin::Choice::dt (C++ member) fly::kinetic::SuperBasin::Choice::mech (C++ member) fly::kinetic::SuperBasin::connect_from (C++ function) fly::kinetic::SuperBasin::expand_occupy (C++ function) fly::kinetic::SuperBasin::find_occupy (C++ function) fly::kinetic::SuperBasin::kmc_choice (C++ function) fly::kinetic::SuperBasin::Options (C++ struct) fly::kinetic::SuperBasin::Options::debug (C++ member) fly::kinetic::SuperBasin::size (C++ function) fly::kinetic::SuperBasin::state (C++ function) fly::kinetic::SuperBasin::SuperBasin (C++ function) fly::kinetic::SuperCache (C++ class) fly::kinetic::SuperCache::connect_from (C++ function) fly::kinetic::SuperCache::kmc_choice (C++ function) fly::kinetic::SuperCache::Options (C++ struct) fly::kinetic::SuperCache::Options::barrier_tol (C++ member) fly::kinetic::SuperCache::Options::cache_size (C++ member) fly::kinetic::SuperCache::Options::debug (C++ member) fly::kinetic::SuperCache::Options::debug_pause (C++ member) fly::kinetic::SuperCache::Options::dynamic_tol (C++ member) fly::kinetic::SuperCache::Options::max_superbasin_size (C++ member) fly::kinetic::SuperCache::Options::opt_basin (C++ member) fly::kinetic::SuperCache::Options::opt_sb (C++ member) fly::kinetic::SuperCache::Options::state_tol (C++ member) fly::kinetic::SuperCache::Options::tol_grow (C++ member) fly::kinetic::SuperCache::Options::tol_shrink (C++ member) fly::kinetic::SuperCache::reset (C++ function) fly::kinetic::SuperCache::size (C++ function) fly::kinetic::SuperCache::state (C++ function) fly::kinetic::SuperCache::SuperCache (C++ function) fly::kruskal_max (C++ function) fly::Mat (C++ type) fly::minimise::LBFGS (C++ class) fly::minimise::LBFGS::LBFGS (C++ function) fly::minimise::LBFGS::minimise (C++ function) fly::minimise::LBFGS::Options (C++ struct) fly::minimise::LBFGS::Options::debug (C++ member) fly::minimise::LBFGS::Options::f2norm (C++ member) fly::minimise::LBFGS::Options::fout (C++ member) fly::minimise::LBFGS::Options::grow_trust (C++ member) fly::minimise::LBFGS::Options::iter_max (C++ member) fly::minimise::LBFGS::Options::max_trust (C++ member) fly::minimise::LBFGS::Options::min_trust (C++ member) fly::minimise::LBFGS::Options::n (C++ member) fly::minimise::LBFGS::Options::proj_tol (C++ member) fly::minimise::LBFGS::Options::shrink_trust (C++ member) fly::minimise::LBFGS::Options::skin_frac (C++ member) fly::minimise::StepLBFGS (C++ class) fly::minimise::StepLBFGS::clear (C++ function) fly::minimise::StepLBFGS::newton_step (C++ function) fly::minimise::StepLBFGS::StepLBFGS (C++ function) fly::motif_to_lattice (C++ function) fly::near (C++ function) fly::neigh::List (C++ class) fly::neigh::List::for_neighbours (C++ function) fly::neigh::List::List (C++ function) fly::neigh::List::MAX_GHOST_RATIO (C++ member) fly::neigh::List::rebuild (C++ function)

fly::neigh::List::size (C++ function) fly::neigh::List::update (C++ function) fly::neigh::sort (C++ function) fly::potential::DataEAM (C++ class) fly::potential::DataEAM::DataEAM (C++ function) fly::potential::DataEAM::f (C++ function) fly::potential::DataEAM::Options (C++ struct) fly::potential::DataEAM::Options::debug (C++ member) fly::potential::DataEAM::Options::symmetric (C++ member) fly::potential::DataEAM::phi (C++ function) fly::potential::DataEAM::r_cut (C++ function) fly::potential::DataEAM::type_map (C++ function) fly::potential::DataEAM::v (C++ function) fly::potential::EAM (C++ class) fly::potential::EAM::EAM (C++ function) fly::potential::EAM::energy (C++ function) fly::potential::EAM::gradient (C++ function) fly::potential::EAM::hessian (C++ function) fly::potential::EAM::r_cut (C++ function) fly::potential::Generic (C++ class) fly::potential::Generic::energy (C++ function) fly::potential::Generic::Generic (C++ function), [1], [2] fly::potential::Generic::gradient (C++ function) fly::potential::Generic::hessian (C++ function) fly::potential::Generic::r_cut (C++ function) fly::product_scan (C++ function) fly::remove_atoms (C++ function) fly::remove_cref_t (C++ type) fly::remove_sphere (C++ function) fly::RuntimeError (C++ struct) fly::saddle::Dimer (C++ class) fly::saddle::Dimer::Dimer (C++ function), [1], [2] fly::saddle::Dimer::Exit (C++ enum) fly::saddle::Dimer::Exit::collision (C++ enumerator) fly::saddle::Dimer::Exit::convex (C++ enumerator) fly::saddle::Dimer::Exit::iter_max (C++ enumerator) fly::saddle::Dimer::Exit::success (C++ enumerator) fly::saddle::Dimer::Exit::uninit (C++ enumerator) fly::saddle::Dimer::find_sp (C++ function) fly::saddle::Dimer::Options (C++ struct) fly::saddle::Dimer::Options::convex_max (C++ member) fly::saddle::Dimer::Options::debug (C++ member) fly::saddle::Dimer::Options::f2norm (C++ member) fly::saddle::Dimer::Options::fout (C++ member) fly::saddle::Dimer::Options::grow_trust (C++ member) fly::saddle::Dimer::Options::hist_check_freq (C++ member) fly::saddle::Dimer::Options::max_steps (C++ member) fly::saddle::Dimer::Options::max_trust (C++ member) fly::saddle::Dimer::Options::min_trust (C++ member) fly::saddle::Dimer::Options::n (C++ member) fly::saddle::Dimer::Options::proj_tol (C++ member) fly::saddle::Dimer::Options::shrink_trust (C++ member) fly::saddle::Dimer::Options::skin_frac (C++ member) fly::saddle::Dimer::Options::use_history (C++ member) fly::saddle::Master (C++ class) fly::saddle::Master::find_mechs (C++ function) fly::saddle::Master::Found (C++ class) fly::saddle::Master::Found::mechs (C++ function) fly::saddle::Master::Found::operator bool (C++ function) fly::saddle::Master::get_options (C++ function) fly::saddle::Master::Hint (C++ struct) fly::saddle::Master::Hint::centre (C++ member) fly::saddle::Master::Hint::delta_sp (C++ member) fly::saddle::Master::Hint::geo (C++ member) fly::saddle::Master::Hint::prev_state (C++ member) fly::saddle::Master::LocalisedGeo (C++ struct) fly::saddle::Master::LocalisedGeo::centre (C++ member) fly::saddle::Master::LocalisedGeo::geo (C++ member) fly::saddle::Master::LocalisedGeo::syms (C++ member) fly::saddle::Master::Master (C++ function) fly::saddle::Master::Options (C++ struct) fly::saddle::Master::Options::basin_tol (C++ member) fly::saddle::Master::Options::batch_size (C++ member) fly::saddle::Master::Options::capture_E_tol (C++ member) fly::saddle::Master::Options::capture_r_tol (C++ member) fly::saddle::Master::Options::debug (C++ member) fly::saddle::Master::Options::fout (C++ member) fly::saddle::Master::Options::freeze_tol (C++ member) fly::saddle::Master::Options::hessian_eigen_zero_tol (C++ member) fly::saddle::Master::Options::max_failed_searches (C++ member) fly::saddle::Master::Options::max_searches (C++ member) fly::saddle::Master::Options::mech_tol (C++ member) fly::saddle::Master::Options::nudge_frac (C++ member) fly::saddle::Master::Options::num_threads (C++ member) fly::saddle::Master::Options::r_pert (C++ member) fly::saddle::Master::Options::recon_e_tol_abs (C++ member) fly::saddle::Master::Options::recon_e_tol_frac (C++ member) fly::saddle::Master::Options::recon_norm_abs_tol (C++ member) fly::saddle::Master::Options::recon_norm_frac_tol (C++ member) fly::saddle::Master::Options::stationary_tol (C++ member) fly::saddle::Master::Options::stddev (C++ member) fly::saddle::Master::package (C++ function) fly::saddle::Master::SoA (C++ type) fly::saddle::Rotor (C++ class) fly::saddle::Rotor::eff_gradient (C++ function) fly::saddle::Rotor::Options (C++ struct) fly::saddle::Rotor::Options::debug (C++ member) fly::saddle::Rotor::Options::delta_r (C++ member) fly::saddle::Rotor::Options::iter_max_rot (C++ member) fly::saddle::Rotor::Options::n (C++ member) fly::saddle::Rotor::Options::relax_in_convex (C++ member) fly::saddle::Rotor::Options::theta_tol (C++ member) fly::saddle::Rotor::r_cut (C++ function) fly::saddle::Rotor::Rotor (C++ function), [1], [2] fly::safe_cast (C++ function) fly::Sign (C++ enum) fly::Sign::minus (C++ enumerator) fly::Sign::plus (C++ enumerator) fly::spatial_dims (C++ member) fly::Spline (C++ class) fly::Spline::f (C++ function) fly::Spline::fp (C++ function) fly::Spline::fpp (C++ function) fly::Spline::OutOfBounds (C++ struct) fly::Spline::OutOfBounds::OutOfBounds (C++ function) fly::Spline::Spline (C++ function), [1] fly::ssize (C++ function) fly::system::Atom (C++ struct) fly::system::Atom::Atom (C++ function), [1], [2], [3], [4] fly::system::Atom::operator= (C++ function), [1] fly::system::Atom::serialize (C++ function) fly::system::Box (C++ class) fly::system::Box::basis (C++ function) fly::system::Box::Box (C++ function) fly::system::Box::canon_image (C++ function) fly::system::Box::get (C++ function) fly::system::Box::Grid (C++ type) fly::system::Box::holding (C++ function) fly::system::Box::make_grid (C++ function) fly::system::Box::operator== (C++ function) fly::system::Box::periodic (C++ function) fly::system::Box::slow_min_image_computer (C++ function) fly::system::Hessian (C++ class) fly::system::Hessian::eigen (C++ function) fly::system::Hessian::eigen_t (C++ struct) fly::system::Hessian::eigen_t::values (C++ member) fly::system::Hessian::eigen_t::vectors (C++ member) fly::system::Hessian::eigenvalues (C++ function) fly::system::Hessian::get (C++ function), [1] fly::system::Hessian::mass_weight (C++ function) fly::system::Hessian::Matrix (C++ type) fly::system::Hessian::operator() (C++ function) fly::system::Hessian::Vector (C++ type) fly::system::Hessian::zero_for (C++ function) fly::system::HyperGrid (C++ class) fly::system::HyperGrid::cell_idx (C++ function) fly::system::HyperGrid::HyperGrid (C++ function) fly::system::HyperGrid::r_cut (C++ function) fly::system::HyperGrid::shape (C++ function) fly::system::make_supercell (C++ function) fly::system::OrthoGrid (C++ class) fly::system::OrthoGrid::gen_image (C++ function) fly::system::Orthorhombic (C++ class) fly::system::Orthorhombic::basis (C++ function) fly::system::Orthorhombic::canon_image (C++ function) fly::system::Orthorhombic::make_grid (C++ function) fly::system::Orthorhombic::min_width (C++ function) fly::system::Orthorhombic::operator== (C++ function) fly::system::Orthorhombic::Orthorhombic (C++ function) fly::system::Orthorhombic::periodic (C++ function) fly::system::Property (C++ struct) fly::system::Property::array_cref_t (C++ type) fly::system::Property::array_ref_t (C++ type) fly::system::Property::array_t (C++ type) fly::system::Property::is_1x1 (C++ member) fly::system::Property::matrix_cref_t (C++ type) fly::system::Property::matrix_ref_t (C++ type) fly::system::Property::matrix_t (C++ type) fly::system::Property::scalar_t (C++ type) fly::system::Property::size (C++ function) fly::system::SoA (C++ class) fly::system::SoA::destructive_resize (C++ function) fly::system::SoA::different_SoA_v (C++ member) fly::system::SoA::operator= (C++ function), [1], [2] fly::system::SoA::owns_all (C++ member) fly::system::SoA::owns_none (C++ member) fly::system::SoA::rebind (C++ function), [1] fly::system::SoA::size (C++ function) fly::system::SoA::SoA (C++ function), [1], [2], [3], [4], [5], [6], [7], [8], [9] fly::system::Supercell (C++ class) fly::system::Supercell::box (C++ function), [1] fly::system::Supercell::map (C++ function), [1] fly::system::Supercell::set_box (C++ function) fly::system::Supercell::Supercell (C++ function) fly::system::Triclinic (C++ class) fly::system::Triclinic::basis (C++ function) fly::system::Triclinic::canon_image (C++ function) fly::system::Triclinic::make_grid (C++ function) fly::system::Triclinic::min_width (C++ function) fly::system::Triclinic::operator== (C++ function) fly::system::Triclinic::periodic (C++ function) fly::system::Triclinic::Triclinic (C++ function) fly::system::TriGrid (C++ class) fly::system::TriGrid::gen_image (C++ function) fly::system::TriGrid::min_width (C++ function) fly::system::TypeMap (C++ class) fly::system::TypeMap::get (C++ function), [1] fly::system::TypeMap::num_types (C++ function) fly::system::TypeMap::operator= (C++ function), [1] fly::system::TypeMap::set (C++ function), [1], [2] fly::system::TypeMap::TypeMap (C++ function), [1], [2], [3] fly::system::viewSoA (C++ type) fly::system::VoS (C++ class) fly::system::VoS::atom_t (C++ type) fly::system::VoS::emplace_back (C++ function), [1] fly::system::VoS::serialize (C++ function) fly::template_for (C++ function) fly::timeit (C++ function) fly::Vec (C++ type) fly::verify (C++ function) fly::visit (C++ function) fly::Xoshiro (C++ class) fly::Xoshiro::jump (C++ function) fly::Xoshiro::long_jump (C++ function) fly::Xoshiro::max (C++ function) fly::Xoshiro::min (C++ function) fly::Xoshiro::operator() (C++ function) fly::Xoshiro::result_type (C++ type) fly::Xoshiro::Xoshiro (C++ function), [1] FLY_SPATIAL_DIMS (C macro) FLY_VERSION_MAJOR (C macro) FLY_VERSION_MINOR (C macro) FLY_VERSION_PATCH (C macro)