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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Threaded implementation of grid-based Bader charge analysis.
We found that pybader demonstrated a healthy version release cadence and project activity because the last version was released less than a year ago. It has 1 open source maintainer collaborating on the project.
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