Version 0.16.2 of GAMGI
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.
Other releases
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 The recursive static_outside routine has been replaced by a loop and stack version, thus removing a critical bottleneck in the solid orbital code.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.
