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Published February 28, 2021 | Version 1.0
Journal article Open

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

  • 1. The George Washington University
  • 2. Universidad Técnica Federico Santa María
  • 3. University College London

Description

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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bempp_exafmm_paper-1.0.zip

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