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mphowardlab / relentless

Computational materials design, with less code.

https://relentless.readthedocs.io

BSD 3-Clause "New" or "Revised" License

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Closed mphoward closed 5 months ago

mphoward commented 5 months ago

Adds compatibility with HOOMD 4 per migration guide.
Adds option to specify device to use for simulations. Default behavior to auto-select is preserved.

Fixes #214 Fixes #228