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Description
If you have a LAMMPS script with a run 1000 command or a minimization command, the caller of LAMMPS.js should be able to get callbacks every N timesteps to show values of computes, variables and fixes in addition to real time updates of atomic positions and other relevant values. See https://github.com/andeplane/atomify/blob/main/cpp/lammpsweb/fix_atomify.cpp as an example implementation (requires some patches like seen in https://github.com/andeplane/atomify/blob/main/cpp/lammps.patch#L62).
In general:
- we use a Fix to get a callback mechanism into LAMMPS
- it is invoked on our choice of steps during a timestep (e.g. END_OF_STEP)
- there we can call a callback function defined in JS like this: https://github.com/andeplane/atomify/blob/main/cpp/lammpsweb/fix_atomify.cpp#L165
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