pybader 0.3.12
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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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