> 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.
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/gpaw/