| Ncage | Functions for topological network criteria cage types |
| CCage | This contains a cage, with the constituent rings |
| CFoundCage | One cage matching a signature, closed or incomplete |
| CSignature | Ring-size census of a polyhedral cage: size -> number of faces |
| Nchill | CHILL and CHILL+ structure classification |
| CBondClassifier | One rule set for classifying bond correlations \(c_{ij}\) |
| CLinearClassifier | One-versus-rest ridge classifier on a dense feature matrix |
| CQlmAtom | This is the local orientational bond order parameter \(q_{lm}\), of length \(2l+1\) |
| CSteinhardtQl | Per-particle Steinhardt order parameters of a single degree \(l\) |
| CTemplateHit | |
| CVoronoiWeights | The Voronoi facet neighbours of one particle and their area weights |
| CYlmAtom | This contains a complex vector of length \(2l+1\) |
| Nclump | Clustering functions. This namespace contains functions that are used in the for clustering ice-like particles |
| CDomain | |
| Ngpu | |
| CBatchResult | |
| CDeviceInfo | |
| CFootprint | |
| CPlan | |
| Nira | |
| CMatch | |
| CPointGroup | |
| NmolSys | Bare-bones structs used throughout the architecture |
| CResult | This contains the bond classifier of enum class type bond_type, and the bond correlation factor |
| CPoint | This contains per-particle information |
| CPointCloud | This contains a collection of points; contains information for a particular frame |
| Nnneigh | Functions for building neighbour lists |
| CSkinNeighborList | Persistent neighbour list with a LAMMPS skin |
| Nphase | |
| CIceXXIHit | |
| Nprimitive | Functions for generating primitive rings |
| CVertex | This is a collection of elements, for each point, required for graph traversal |
| CGraph | This is a per-frame object, containing all the vertices for the particular frame, along with the vector of rings generated |
| CRingUpdater | Exact frame-to-frame maintenance of the primitive ring network |
| Nrdf | Three-dimensional partial RDF g_IJ(r) |
| CPartialRdf | |
| Nring | Topological network criteria functions |
| CAffiliationUpdater | Exact incremental affiliation across frames |
| CCageAffiliation | Per-ring affiliation flags, indexed like the input ring vector |
| CRingSearchIndex | Inverted index from an atom to the rings that contain it |
| CSeededAtomLabels | Per-atom cage flags from seeded (hysteresis) affiliation |
| CStackingPlanes | Six-rings that are ice-I stacking planes |
| Nseams | |
| Ncfg | |
| CRuntime | |
| Nsite | |
| CDensityZ | |
| CGuestOccupancy | Guests read against enumerated cages |
| CIceClusterIons | Connected components of ice atoms on the water graph, and the ion count per component: each ion is assigned to the cluster of the nearest ice atom within cutoff |
| CIonEnvironment | |
| CTable | |
| Ntopo | |
| CLocalKey | |
| CFrameFingerprint | |
| CKeyLibrary | A dictionary from local keys to labels: the keys of reference structures (a polymorph library), so any molecule whose rooted neighbourhood matches a reference gets that reference's name |
| CLibraryMatch | |
| Ntopoparam | |
| CLayerStack | |
| Ntum | |
| CCageCounts | |