Description:
pybader 0.3.12
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.
License
For personal and professional use. You cannot resell or redistribute these repositories in their original state.
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