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TheochemUI / eOn

eOn v3 and beyond
https://theochemui.github.io/eOn/
BSD 3-Clause "New" or "Revised" License
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ENH: Formalize MPI interactions #180

Open HaoZeke opened 4 weeks ago

HaoZeke commented 4 weeks ago

v3c disables MPI communication of the clients, since the design is to focus on concurrency rather than the clients explicitly calling / passing MPI communicators.

HaoZeke commented 4 weeks ago

In any case very few of the potentials could actually handle MPI, only passed through to MPIPot (which polls, and LAMMPS (which probably needs to be rewritten as per #158 anyway).