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Update README.md

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There was a mistake for some reason AFLOW was written in place of alexandria for the data sources. Fixed now.

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  1. README.md +3 -3
README.md CHANGED
@@ -113,7 +113,7 @@ configs:
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  | Materials | 69,117 |
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  | Functional | r2SCAN |
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- | Sources | AFLOW (agm), OQMD (oqmd-), Materials Project (mp-) |
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  | Bader charge coverage | 86.2% (59,613 materials) |
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  | Charge density grid | 15×15×15 (`default`) or adaptive (`adaptive-grid`) |
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  | Unsmoothed charge density | `charge_density`, 65,960 materials |
@@ -123,7 +123,7 @@ configs:
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  | Source | Materials |
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  |---|---|
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- | AFLOW (`agm*`) | 38,925 |
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  | OQMD (`oqmd-*`) | 29,611 |
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  | Materials Project (`mp-*`) | 581 |
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@@ -206,7 +206,7 @@ density = np.asarray(row["charge_density"]).reshape(row["charge_density_grid_sha
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  If you use this dataset, please cite the underlying databases:
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- - **AFLOW**: Curtarolo et al., *Computational Materials Science* 58, 218–226 (2012)
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  - **OQMD**: Saal et al., *JOM* 65, 1501–1509 (2013); Kirklin et al., *npj Computational Materials* 1, 15010 (2015)
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  - **Materials Project**: Jain et al., *APL Materials* 1, 011002 (2013)
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  - **Bader analysis**: Henkelman et al., *Computational Materials Science* 36, 354–360 (2006)
 
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  |---|---|
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  | Materials | 69,117 |
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  | Functional | r2SCAN |
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+ | Sources | Alexandria (agm), OQMD (oqmd-), Materials Project (mp-) |
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  | Bader charge coverage | 86.2% (59,613 materials) |
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  | Charge density grid | 15×15×15 (`default`) or adaptive (`adaptive-grid`) |
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  | Unsmoothed charge density | `charge_density`, 65,960 materials |
 
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  | Source | Materials |
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  |---|---|
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+ | Alexandria (`agm*`) | 38,925 |
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  | OQMD (`oqmd-*`) | 29,611 |
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  | Materials Project (`mp-*`) | 581 |
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  If you use this dataset, please cite the underlying databases:
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+ - **ALEXANDRIA**: Schmidt et al., *Science Advances* 7, 49 (2021)
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  - **OQMD**: Saal et al., *JOM* 65, 1501–1509 (2013); Kirklin et al., *npj Computational Materials* 1, 15010 (2015)
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  - **Materials Project**: Jain et al., *APL Materials* 1, 011002 (2013)
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  - **Bader analysis**: Henkelman et al., *Computational Materials Science* 36, 354–360 (2006)