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 Attribute type has been replaced by reference in XML group elements.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.
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.
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 The recursive static_outside routine has been replaced by a loop and stack version, thus removing a critical bottleneck in the solid orbital code.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.
Release Notes: This release implements Orbital->Copy, Orbital->Link, and Orbital->Remove dialogs, improves the interface for Orbital->Create and all Object->Copy dialogs, and adds Help->Current and Help->Topic documentation for the dialogs Orbital->Create, Orbital->Copy, Orbital->Link, and Orbital->Remove.
Release Notes: All Hydrogen based orbitals from 1s to 6h are now working fine in GAMGI, as clouds of dots above a given density. Default values for threshold density, number of points, and sampling radius were extensively studied for all orbitals to guarantee scientific correctness and optimal visual representations. Solid representations of these orbitals and complex charge descriptions of molecules and crystals, obtained from ab-initio calculations done with other computer packages, are planned to go next.
Release Notes: This release adds all the Laguerre and Legendre functions needed to build Hidrogen-based atomic orbitals up to 5g, in xyz coordinates. It has been successfully tested with dotted models of s,p,d,f,g Hydrogen based orbitals up to 5g. It has good algorithms to build surface models of orbitals. There is an initial version of the dialog Orbital->Create. This release fixes two bugs on importing/exporting clusters and groups to XML files.