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TORIS

Modules 


 Dirichlet
Constructs Voronoi polyhedra of atoms and computes a lot of their geometrical and topological parameters.
 IsoCryst
Computes interatomic distances, bond angles and geometrical fingerprints for crystal structures.
 HSite
Determines positions of hydrogen atoms, which have not been localized in crystal-structural experiment.
 IsoTest
Automatically tests crystal structures on isotypism (topological similarity) and determines the degree of their similarity.
 AutoCN
Computes the adjacency matrix of crystal structure, determines types of interatomic interactions (valence, H-bond, specific, van der Waals).
 StatPack
Realizes a number of standard statistical methods for processing the data obtained with the Dirichlet, ADS and DiAn programs.
 ADS
Computes topological parameters of atomic and molecular networks, performs topological classification, determines structural groups, builds tilings.
 DiAn
Computes interatomic distances, bond angles and geometrical fingerprints for crystal structures.


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