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TorchSim
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Enhance pymatgen io functions to support system and atom extras
- #605
#605
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TorchSim:main
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akwarii:main
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Sep 14, 2026
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Enhance pymatgen io functions to support system and atom extras
#605
CompRhys
merged 4 commits into
TorchSim:main
TorchSim/torch-sim:main
from
akwarii:main
akwarii/torch-sim:main
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Commits
Commits on Sep 10, 2026
pymatgen io functions accept system and atom extras
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Implement tests for extras map functionality
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Fix docstring
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extras can be requested from SimState and TorchSimTrajectory
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