As for molecule dynamics. I will look into the cod...
# science
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As for molecule dynamics. I will look into the code later, but it is a great Idea. I have plans to implement some generic physics extension like units of measure (there is Measured - https://github.com/nacular/measured library, but I want something more specific). We currently create some of those extensions inside Controls-kt since we work on integrating physics simulations into device controls.
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MoleKule is now being actually used by some of the professors that know us (we are students of physics btw... well if they don't expell us from the university lol) It is really easier to implement things in it with respect to the pain of LAMMPS scripts...