Grid-based Bader charge analysis based on methods presented in W. Tang, E. Sanville, and G. Henkelman A grid-based Bader analysis algorithm without lattice bias, J. Phys.: Condens. Matter 21, 084204 (2009). Methods have been updated to allow threading over multiple threads.
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Release files for pybader 0.3.12
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Source distribution (sdist)
| File | Size | Uploaded | |
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| pybader-0.3.12.tar.gz | 32.0 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| pybader-0.3.12-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 70.5 kB
Release files / pybader-0.3.12.tar.gz
| Download URL | pybader-0.3.12.tar.gz |
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| Size | 32.0 kB |
| Tags | Source |
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Release files / pybader-0.3.12-py3-none-any.whl
| Download URL | pybader-0.3.12-py3-none-any.whl |
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| Size | 38.5 kB |
| Tags | Python 3 |
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twine/3.1.1 pkginfo/1.5.0.1 requests/2.23.0 setuptools/41.2.0 requests-toolbelt/0.9.1 tqdm/4.45.0 CPython/3.8.2
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