autopas

Autopas is a node-level auto-tuned particle simulation library developed in the context of the TaLPas project.

https://github.com/autopas/autopas

Science Score: 54.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • CITATION.cff file
    Found CITATION.cff file
  • codemeta.json file
    Found codemeta.json file
  • .zenodo.json file
    Found .zenodo.json file
  • DOI references
  • Academic publication links
    Links to: sciencedirect.com, ieee.org
  • Academic email domains
  • Institutional organization owner
  • JOSS paper metadata
  • Scientific vocabulary similarity
    Low similarity (12.5%) to scientific vocabulary

Keywords

autopas particle-simulation scientific-computing
Last synced: 6 months ago · JSON representation ·

Repository

Autopas is a node-level auto-tuned particle simulation library developed in the context of the TaLPas project.

Basic Info
  • Host: GitHub
  • Owner: AutoPas
  • License: bsd-2-clause
  • Language: C++
  • Default Branch: master
  • Homepage: https://autopas.github.io
  • Size: 179 MB
Statistics
  • Stars: 39
  • Watchers: 3
  • Forks: 10
  • Open Issues: 141
  • Releases: 2
Topics
autopas particle-simulation scientific-computing
Created almost 8 years ago · Last pushed 6 months ago
Metadata Files
Readme Contributing License Citation

README.md

AutoPas

AutoPas is a node-level auto-tuned particle simulation library developed in the context of the TaLPas project. CI Status

Documentation

The documentation can be found at our website: https://autopas.github.io/doxygen_documentation/git-master/

Alternatively, you can build the documentation on your own: * Requirements: Doxygen * make doc_doxygen

Examples

As AutoPas is only a library, it is not able to run simulations by itself. We have, however, included a few example proxy applications in the examples directory. The examples include: * md-flexible: Molecular dynamics simulations with single centered Lennard-Jones particles. * Smoothed particle hydrodynamics simulations

Using AutoPas

Please look at our user documentation pages.

Developing AutoPas

Acknowledgements

This work was financially supported by: * Federal Ministry of Education and Research, Germany, project "Task-based load balancing and auto-tuning in particle simulations" (TaLPas) 8, grant numbers 01IH16008A and 01IH16008B. * Federal Ministry of Education and Research, Germany, project "Verbundprojekt: Simulationssoftware für Exascale-Supercomputer zur Berechnung von Dreikörperwechselwirkungen" (3xa), grant number 16ME0652K. * Federal Ministry of Defense, Germany, through Helmut-Schmidt-Universität, project "Makro/Mikro-Simulation des Phasenzerfalls im Transkritischen Bereich" (MaST). * Federal Ministry of Education and Research, Germany, project "Verbundprojekt: In Windkraftanlagen integrierte Second-Life-Rechencluster" (WindHPC), grant number 16ME0611.

Papers to cite

Owner

  • Name: AutoPas
  • Login: AutoPas
  • Kind: organization

Citation (CITATION.cff)

cff-version: 1.2.0
message: "If you use this software, please cite it as below."
authors:
- family-names: "Gratl"
  given-names: "Fabio Alexander"
  orcid: "https://orcid.org/0000-0001-5195-7919"
- family-names: "Newcome"
  given-names: "Samuel James"
  orcid: "https://orcid.org/0000-0003-3044-6057"
title: "AutoPas"
version: 1.0.0
# doi: No doi included
date-released: 2020-11-10
url: "https://github.com/AutoPas/AutoPas"
preferred-citation:
  type: article
  authors:
  - family-names: "Gratl"
    given-names: "Fabio Alexander"
    orcid: "https://orcid.org/0000-0001-5195-79190"
  - family-names: "Seckler"
    given-names: "Steffan"
    orcid: "https://orcid.org/0000-0003-1143-6283"
  - family-names: "Bungartz"
    given-names: "Han-Joachim"
    orcid: "https://orcid.org/0000-0002-0171-0712"
  - family-names: "Neumann"
    given-names: "Philipp"
    orcid: "https://orcid.org/0000-0001-8604-8846"
  doi: "https://doi.org/10.1016/j.cpc.2021.1082620"
  journal: "Computer Physics Communications"
  month: 4
  start: 108262 # ID of the article
  title: "N ways to simulate short-range particle systems: Automated algorithm selection with the node-level library AutoPas"
  volume: 273
  year: 2022

GitHub Events

Total
  • Create event: 79
  • Release event: 1
  • Issues event: 31
  • Watch event: 4
  • Delete event: 31
  • Issue comment event: 469
  • Push event: 1,119
  • Gollum event: 1
  • Pull request review comment event: 241
  • Pull request event: 71
  • Pull request review event: 269
  • Fork event: 3
Last Year
  • Create event: 79
  • Release event: 1
  • Issues event: 31
  • Watch event: 4
  • Delete event: 31
  • Issue comment event: 469
  • Push event: 1,119
  • Gollum event: 1
  • Pull request review comment event: 241
  • Pull request event: 71
  • Pull request review event: 269
  • Fork event: 3

Issues and Pull Requests

Last synced: 6 months ago

All Time
  • Total issues: 13
  • Total pull requests: 31
  • Average time to close issues: almost 2 years
  • Average time to close pull requests: 3 months
  • Total issue authors: 6
  • Total pull request authors: 14
  • Average comments per issue: 0.85
  • Average comments per pull request: 1.84
  • Merged pull requests: 14
  • Bot issues: 0
  • Bot pull requests: 0
Past Year
  • Issues: 8
  • Pull requests: 29
  • Average time to close issues: 20 days
  • Average time to close pull requests: about 2 months
  • Issue authors: 4
  • Pull request authors: 14
  • Average comments per issue: 0.38
  • Average comments per pull request: 1.07
  • Merged pull requests: 12
  • Bot issues: 0
  • Bot pull requests: 0
Top Authors
Issue Authors
  • FG-TUM (23)
  • SamNewcome (21)
  • thesamriel (12)
  • manishmishra6016 (7)
  • SteffenSeckler (5)
  • xhulia028 (1)
  • YasperFa (1)
  • MehdiHachicha (1)
  • HobbyProgrammer (1)
  • ManuelLerchner (1)
  • ireneangelucci (1)
Pull Request Authors
  • FG-TUM (35)
  • SamNewcome (23)
  • thesamriel (17)
  • dmartin13 (14)
  • ireneangelucci (12)
  • manishmishra6016 (10)
  • schuhmaj (6)
  • ManuelLerchner (4)
  • TumBeat (3)
  • rlawnsiiiii (2)
  • JannikHoog (2)
  • hoppef (1)
  • santiagonar1 (1)
  • AshIsAtWork (1)
  • Johannes-Rief (1)
Top Labels
Issue Labels
bug (12) good first issue (9) enhancement (8) low priority (8) optimization (7) high priority (7) refactoring (7) examples (4) auto-tuning (3) question (3) 3body (2) ls1-integration (2) openmp (2) compiler bug (1) help wanted (1) tests (1) Trello (1) dependencies (1) particle duplication or loss (1) documentation (1) WindHPC (1)
Pull Request Labels
bug (19) argon (10) 3body (9) refactoring (6) documentation (6) cmake (6) enhancement (5) auto-tuning (5) tests (5) examples (4) CI (3) wontfix (2) low priority (2) dependencies (2) high priority (2) ls1-integration (1) optimization (1) openmp (1)

Dependencies

.github/workflows/TestSuites.yaml actions
  • DoozyX/clang-format-lint-action v0.12 composite
  • actions/checkout v2 composite
.github/workflows/doxygen.yaml actions
  • actions/checkout v2 composite
  • docker://autopas/autopas-build-doxygen * composite
  • peaceiris/actions-gh-pages v3.7.2 composite