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This PR includes a few minor cosmetic updates:
CITATION.cff
file to the NequIP repo (Misc project target fornequip-dev
)README
and citation page on the docs (previously empty)plot_dimers.py
example script (had some accidental hard-set parameters etc)""Do NOT manually set PYTORCH_JIT_USE_NNC_NOT_NVFUSER=0..."
warning calls whenPYTORCH_JIT_USE_NNC_NOT_NVFUSER
inos.environ
(but not set to 0)