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Merge pull request #21 from SymmetryAdvantage/claude/test-failure-inv…
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Reject relaxed structures with atomic clashes
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Torch dependency relaxation+MACE
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"torch >=2.10.0"
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Nian's structures
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Merge branch 'main' of https://github.com/SymmetryAdvantage/WyckoffTr…
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Merge pull request #20 from SymmetryAdvantage/mace-tag-resolving
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MACE tag -> url mapping
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Site symmetry as ops
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Add parallel processing instructions for Wyckoff genes in README
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v1.0.6
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Parallel relax
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