Journal article Open Access

High-productivity, high-performance workflow for virus-scale electrostatic simulations with Bempp-Exafmm (meshes and pqr files)

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

Meshes and pqr files to reproduce the results for the article High-productivity, high-performance workflow for virus-scale electrostatic simulations with Bempp-Exafmm.

For instructions on how to run our repro-pack, see https://github.com/barbagroup/bempp_exafmm_paper/tree/master/repro-pack. The mesh files in mesh.zip should be placed in repro-pack/mesh folder, and the pqr files in pqr.zip should be placed in repro-pack/pqr folder.

Files (154.2 MB)
Name Size
mesh.zip
md5:e2a42edd0f35fe155f531a5fd80ce425
125.6 MB Download
pqr.zip
md5:a062385f385890970881c9520cc3d3d4
28.7 MB Download
104
23
views
downloads
All versions This version
Views 104104
Downloads 2323
Data volume 1.8 GB1.8 GB
Unique views 100100
Unique downloads 1919

Share

Cite as