GAMGI 0.14
 
Image showing Zinc Blende with coordination polyhedra Structure of Zinc Blende, with each S2- surrounded by four Zn2+. Tetrahedral coordination polyhedra are shown in Solid and Wired styles, with autonomy All and None, to ilustrate the new Polytope functionality. The Layer is represented with white background, often the best option when preparing a picture for publication. Gnome on Fedora 8. Size: 51,963 bytes.

Image showing convex hull from 50,000 atoms inside a cube Coordination polyhedron obtained from 50,000 atoms randomly distributed inside a cube. This is exactly the same code used to obtain small coordination polyhedra as above for Zinc Blenda. Technically this is an implementation of a 3D convex hull incremental algorithm, with conflict lists to achieve NlogN scaling. It takes just 3-5 seconds to complete, because most atoms are deep inside the cube and can be efficiently discarded. Gnome on Ubuntu 9.04. Size: 32,761 bytes.

Image showing convex hull from 50,000 atoms on a sphere Coordination polyhedron obtained from 50,000 atoms (almost) randomly distributed on the surface of a sphere. This case takes much more time to calculate (about 30 seconds) because all atoms contribute to the final polygonal surface. As atoms are added one at a time (3D convex hull incremental algorithm), the polygonal surface must be locally recalculated 50,000 times. Gnome on Ubuntu 9.04. Size: 41,309 bytes.

Image showing YBa2Cu3O7 superconductor with 2D and 3D polytopes A 3x3x2 convencional cell volume of orthorhombic (group 47) YBa2Cu3O7 superconductor, shown here with 2D squares and 3D square piramids to emphasize the oxygen coordination around copper. Outer atoms were removed to improve readability. Wyckoff coordinates were taken from Ira Burshtein Crystal Structures site. Gnome on Fedora 8. Size: 35,354 bytes.

GAMGI old
 
Screenshots for older releases can be found here.

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