"DAIMAn": a remake of AIMAll - a package used to analyze the electronic density following Bader's theory of atoms in molecules. It is compatible with AIMAll and have a flexible architecture that allows to compare different calculus methods of electronic properties. Its engine dynamically constructs a directional graph of all the objects present in the input system, such as: nucleus, electronic orbitals, chemical bonds and values of their properties, etc. The package includes a 3D GUI based on Qt OpenGL API.
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Bader's AIM routines (under the development)
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YKolokoltsev/DAIMAn
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