Projects / GAMGI

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.

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Release Notes: All Formats documentation has been reviewed, particularly for Cluster, Group, Plane, and Direction objects. Attribute type has been replaced by reference in XML group elements. The code bridging GTK and OpenGL has been reviewed. The license for the source code and documentation has been changed to the GPLv3. sha256sum is used to checksum distribution tarball files.

  •  24 Dec 2013 02:02

    Release Notes: This release fixes a math bug in the Hydrogen orbital code, fixes the way the Debye-Waller atomic temperature factor is handled, and fixes a makefile bug in the release without GtkGlExt. Orbital->Select is now fully working. This release simplifies the way axes are handled for orbitals, adds more options to create lists of directions and planes, updates documentation for Formats and Interfaces regarding orbitals, directions, and planes, and changes some XML attributes for cell, direction, and plane elements.

    •  31 Oct 2013 23:56

      Release Notes: Fixes several important bugs related to: object selection by region, reset of multiple windows with lists selected, creating multiple crystallographic Plane/Direction ranges, and building RCP structures. Fixes other bugs related to: Pole/Trace simultaneous creation, crystallographic Plane/Direction names, and visual aspect and object selection in stereographic projections. Lists of Orbitals are now working correctly. Orbital->Select is already working for some options.

      •  03 Sep 2013 23:38

        Release Notes: This release implements Orbital->Modify, which is now working fine for single orbitals (lists of orbitals should be supported in the next release). It adds automatic name change in Atom->Modify and Orbital->Modify. It simplifies the way Laguerre polynomials and Legendre functions are calculated to get Hydrogen-based atomic orbitals.

        •  22 Jun 2013 14:36

          Release Notes: Hydrogen orbitals can now be represented as solid polygonal isosurfaces (or as clouds of dots, as in previous releases). Orbitals represented as solid isosurfaces look really fantastic, as the new screenshots show. Users can always choose which orbital octants to represent, which is critical for seeing the orbitals inside. A few minor bugs in the GTK, Expat orbital code were fixed.

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