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jmmshn committed Feb 23, 2024
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Expand Up @@ -14,6 +14,13 @@ Tools for re-griding volumetric quantum chemistry data for machine-learning purp
[![DOI](https://zenodo.org/badge/266894456.svg)](https://zenodo.org/badge/latestdoi/266894456)


If you use this package in your research, please cite the following:

```
Shen, J.-X., Munro, J. M., Horton, M. K., Huck, P., Dwaraknath, S., & Persson, K. A. (2022). A representation-independent electronic charge density database for crystalline materials. Sci Data, 9(661), 1–7. doi: 10.1038/s41597-022-01746-z
```

# Regridding data using PyRho


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