LeMat-Rho / README.md

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16 days ago

  1. docs: describe charge_density as resampled from the raw CHGCAR

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  2. feat: add unsmoothed charge_density column

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  1. Upload dataset (#9)⁠

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  1. Update README.md

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  1. Add dataset card with full column descriptions and usage (#4)⁠

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  2. Update to 69,117 materials with r2SCAN, forces, energy, Bader charges (86.2% coverage) (#2)⁠

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  1. initial commit

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