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Functions
- GTAllStructures
- GTBravaisLattice
- GTBuckyBall
- GTClearStructures
- GTClusterManipulate
- GTCrystalData
- GTCrystalSystem
- GTExportXSF
- GTGetStructure
- GTGroupNotation
- GTImportCIF
- GTInstallStructure
- GTLatticeVectors
- GTLoadStructures
- GTPlotCluster
- GTPlotStructure
- GTPlotStructure2D
- GTSaveStructures
- GTShowSymmetryElements
- GTSpaceGroups
- GTTubeParameters
- GTTubeStructure
- spcgrp
Crystal Structure
ReferenceReference
Load, save and modify crystal structure libraries
GTAllStructures — prints all structures that are currently installed within the list spcgrp.
GTExportXSF — exports structure data to .xsf format for visualisation.
GTGetStructure — displays an installed crystal structure.
GTInstallStructure — installs a new crystal structure.
GTImportCIF — imports relevant data from cif file.
GTLoadStructures — loads the content of the list spcgrp.
GTSaveStructures — saves the content of the list spcgrp.
GTClearStructures — removes content of spcgrp.
Plot and manipulate crystal structures
GTClusterManipulate — manipulations a cluster in different ways.
GTPlotCluster — creates a 2D or 3D graphics object of the cluster.
GTPlotStructure — plots a crystal structure.
GTPlotStructure2D — plots a 2D crystal structure.
Point and space group information
GTBravaisLattice — gives the lattice vectors of the crystal system.
GTCrystalData — provides information about crystal structures.
GTCrystalSystem — gives the crystal system of a group and vice versa.
GTGroupNotation — changes between notations.
GTLatticeVectors — generates lattice vectors.
GTShowSymmetryElements — produces a graphical representation of the symmetry elements.
GTSpaceGroups — gives the nomenclature of the 230 space groups.
Carbon nanostructures
GTBuckyBall — generates a cluster of C atoms representing buckminsterfullerene.
GTTubeParameters — calculates geometric properties of single wall carbon nanotubes.
GTTubeStructure — creates a single wall carbon nanotube.
spcgrp — saves the installed crystal structures