27 days ago
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Sync viewer: no axes, fixed C1-C4 serials
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C1-C4 StoBe path with 0-based 3Dmol serials
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Link model card to Carbon Lab website and Scholar
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Sync viewer axes with Atlas C1-C4 frame
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Atlas-aligned ZnPc geometry and C1-C4 carbon_indices
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docs: Atlas + proper XYZ provenance
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data: Atlas shortlink d/193bc0c5 for ZnPc TEY
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fix: use tpznpc_0m_rotated_proper.xyz geometry
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docs: provenance for StoBe excitation labeling
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fix: map atomid 1-4 to StoBe C01-C04
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fix: ZnPc XYZ from StoBe C01-C04 excitation centers
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feat: package ZnPc clustering demo assets under data/
Keep root dft.csv / exp.csv / beta tables for XRR fitting.
Add sticks, Gaussians, geometry (C1-C4), StoBe site packs, citations. -
Update README.md
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Add model card metadata
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Add files using upload-large-folder tool
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initial commit
