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|
|Operating Systems||POSIX Linux|
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.
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.
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.
Release Notes: Orbital objects can now be exported or imported to GAMGI native XML files. The recursive static_outside routine has been replaced by a loop and stack version, thus removing a critical bottleneck in the solid orbital code. This release fixes memory leaks in GTK code, syntax bugs in object selection by color, warnings due to unused variables, and more.
Release Notes: This release includes all the Marching-Cubes / Tetra-Cubes 3D and 2D code needed to render solid orbitals. The 2D code is already debugged and working. New GAMGI mirrors have been added. This release adds structure and info files for beta-quartz, beta-cristobalite, and beta-trydimite.