Index

A

AGNICalculator (C++ class) AGNICalculator::AGNICalculator (C++ function) AGNICalculator::calculate_fingerprint (C++ function) AGNICalculator::get_size (C++ function) Atom (C++ class) Atom::Atom (C++ function), [1] Atom::get_atom_type (C++ function) Atom::get_x (C++ function) Atom::get_y (C++ function)

Atom::get_z (C++ function) AtomicSystem (C++ class) AtomicSystem::AtomicSystem (C++ function), [1] AtomicSystem::get_atom (C++ function) AtomicSystem::get_atom_types (C++ function) AtomicSystem::get_distance_component (C++ function) AtomicSystem::get_n_atoms (C++ function) AtomicSystem::get_square_distance (C++ function), [1] AtomicSystem::set_box_size (C++ function)

C

cutoff_func (C++ function)

F

FingerprintGenerator (C++ class) FingerprintGenerator::FingerprintGenerator (C++ function) FingerprintGenerator::write2file (C++ function) fingerprintProperties (C++ struct) fingerprintProperties::atomtypes (C++ member) fingerprintProperties::box_size (C++ member) fingerprintProperties::calculate_derivatives (C++ member) fingerprintProperties::cutoff (C++ member)

fingerprintProperties::directions (C++ member) fingerprintProperties::is_box_size_provided (C++ member) fingerprintProperties::natomtypes (C++ member) fingerprintProperties::nderivatives (C++ member) fingerprintProperties::ndirections (C++ member) fingerprintProperties::strategy (C++ member) fingerprintProperties::type (C++ member) fingerprintProperties::weight_type (C++ member)

G

GenericLocalCalculator (C++ class) GenericLocalCalculator::calculate_fingerprint (C++ function)

GenericLocalCalculator::GenericLocalCalculator (C++ function) GenericLocalCalculator::get_size (C++ function)

N

NeighborList (C++ class) NeighborList::build (C++ function) NeighborList::get_atoms_in_bin (C++ function) NeighborList::get_atoms_per_bin (C++ function) NeighborList::get_bin_number (C++ function)

NeighborList::get_n_neighbors (C++ function), [1], [2] NeighborList::get_neighboring_bins (C++ function) NeighborList::get_neighbors (C++ function) NeighborList::get_sorted_neighbors (C++ function), [1], [2] NeighborList::NeighborList (C++ function), [1]