GAMGI
GAMGI (General Atomistic Modelling Graphic Interface) is a program to build, view, and analyze atomic strucures such as molecules, crystals, glasses, liquids, etc. It aims to be useful for: the scientific community working in Atomistic Modelling that needs a graphic interface to build input data and to view and analyse output data, calculated with Ab-Initio and Molecular Mechanics programs; the scientific community at large studying chemistry, physics, materials science, geology, etc., that needs a graphic interface to view and analyse atomic structural information and to prepare images for presentations in classes and seminars; teaching chemistry and physics in secondary schools and universities; science promotion in schools, exhibitions and science museums.
| Tags | Scientific/Engineering Chemistry education |
|---|---|
| Licenses | GPL |
| Operating Systems | POSIX Linux |
| Implementation | C |
Recent releases
- 13 May 2009 14:33
Changes: The polytope code was improved, tested, and cleaned. The way data is stored was redesigned to increase maintenance and readibility. Speedups were added to make the code more efficient. This code builds a 3D convex hull for 50,000 atoms under 3 seconds on the developer's desktop system. The corresponding graphic interface was moved from Cell->Link to Group->Create. New options (Autonomy) and defaults (color, neighbor elements, number of neighbors) were added. The (GTK 1) GTK_OBJECT casts in all g_signal_connect calls were removed.
- 28 Apr 2009 17:14
Changes: The polytope code is now working in 1D (producing a range of atomic directions), 2D (producing a range of atomic planes), and 3D conditions (producing a range of polyhedra atomic groups). The 3D convex hull incremental algorithm is still operating with restrictions (the code to handle coplanar faces is switched off). The code is temporarily available from Cell->Link and then Link Polytope. This is very important to describe crystallographic structures such as minerals, superconductors, etc. but also to analyze glasses, liquids, etc.
- 29 Mar 2009 20:48
Changes: All the GTK 1 menus have now been replaced by GTK 2 combo boxes. The GTK interface has been written (currently only in Cell->Link) to build 3D and 2D polytopes around central atoms. The polytope code has been rewritten, and the remaining sampling code needed to get polytope neighbors written. All the polytope sampling, starting, and exporting code has been debugged and tested, except for the core incremental algorithm code. A bug in the XML code when importing crystallographic directions with centered nodes has been fixed.
- 07 Jan 2009 21:27
Changes: This release fixes a few copyright issues raised by the Debian legal team. It includes most of the code needed to implement a fast, sophisticated 3D convex hull incremental algorithm. This is array-based (to be faster), with arrays of cell lists (to speed up sampling) and conflict lists (to be NlogN), and can handle coplanar issues, non-triangular faces, periodic boundary conditions, etc. It will be useful to describe arbitrary sets of arbitrary polyhedra defined by atoms, such as in superconductors, silicates, glasses, etc.
- 30 Oct 2008 17:31
Changes: This release merges all the X3D (the new XML version of VRML) code developed by Tiago Farto, after extensive cleanup. This includes code to describe all the objects currently supported by GAMGI as layers, cells, clusters, molecules, groups, planes, directions, atoms, bonds, and texts. As X3D handles a single 3D space (while GAMGI handles multiple 3D spaces through layers), only objects in the current layer are exported; the other layers are ignored.
