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Journal article Open Access

High-productivity, high-performance workflow for virus-scale electrostatic simulations with Bempp-Exafmm (manuscript and repro-pack)

Wang, Tingyu; Cooper, Christopher D.; Betcke, Timo; Barba, Lorena A.

This is the archival deposit of the Github repository of our manuscript "High-productivity, high-performance workflow for virus-scale electrostatic simulations with Bempp-Exafmm". It includes all source files for the text and reproducibility packages (repro-pack) for all figures.

The instructions on how to use the repro-pack can be found in repro-pack/README.md. We also provide the meshes and pqr files in a separate deposit: doi:10.5281/zenodo.4568768.

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