Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible rendering and a powerful plugin architecture.
When working with at least 2 atoms*, one of which is a superheavy element, the program immediately crashes† upon attempting to start AutoOptimization‡.
*A window pops up immediately that says "avogadro.exe has stopped working." At first, there is a progress bar, but it is replaced with two buttons, labeled “Debug” and “Close program”.
† I crashed with all five of the following setups: two Rf atoms next to each other, HUus, H2 next to a single Uus atom, Uus2, and H2 next to a single Uuo atom.
‡ I have the default settings for AutoOptimization: UFF forcefield, 4 steps per update, Steepest Descent for the algorithm.
When working with at least 2 atoms*, one of which is a superheavy element, the program immediately crashes† upon attempting to start AutoOptimization‡.
*A window pops up immediately that says "avogadro.exe has stopped working." At first, there is a progress bar, but it is replaced with two buttons, labeled “Debug” and “Close program”.
† I crashed with all five of the following setups: two Rf atoms next to each other, HUus, H2 next to a single Uus atom, Uus2, and H2 next to a single Uuo atom.
‡ I have the default settings for AutoOptimization: UFF forcefield, 4 steps per update, Steepest Descent for the algorithm.
Reported by: *anonymous