Classes

  • namespace chill CHILL and CHILL+ structure classification. This namespace contains functions that are used in the CHILL/CHILL+ classification scheme, as well as a yodaCloud struct to hold all the information.
    • struct QlmAtom This is the local orientational bond order parameter $q_{lm}$ , of length $2l+1$ .
    • struct YlmAtom This contains a complex vector of length $2l+1$ .
  • namespace MolSys Bare-bones structs used throughout the architecture. This namespace defines Point and PointCloud structs, alongwith other basic functions and enums.
    • struct Point This contains per-particle information.
    • struct PointCloud This contains a collection of points; contains information for a particular frame.
    • struct Result This contains the bond classifier of enum type bond_type, and the bond correlation factor.
  • namespace nanoflann
  • namespace sph Functions used for spherical harmonics.
  • namespace std STL namespace.
  • class Rdf2D Class for 2D RDF. This class creates an object for the 2D-RDF, and the output of the RDF can be printed to a file.
  • class Rdf3D Class for 3D RDF. This class creates an object for the 3D-RDF, and the output of the RDF can be printed to a file.
  • class StructureFactor Class for Structure Factor Calculation. This class creates an object for the structure factor, and the output can be printed to a file.