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> MacMolPlt [..] shows electron fields and the physical location of atoms during chemical reactions ASE and GPAW might be another option. Python, Linux/Mac/Wi
by mncharity 6y ago
> MacMolPlt [..] shows electron fields and the physical location of atoms during chemical reactions
ASE and GPAW might be another option. Python, Linux/Mac/Win, with "optional" GPU accel.
I'm exploring teaching atoms and materials less wretchedly, down towards early primary. Using ASE/GPAW for trajectories and electron densities, for physically realistic interactive visualizations in XR. No complaints.
https://wiki.fysik.dtu.dk/ase/ https://wiki.fysik.dtu.dk/ase/ https://wiki.fysik.dtu.dk/gpaw/ https://wiki.fysik.dtu.dk/gpaw/