QuaCa

QuaCa: an open-source library for fast calculations of steady-state quantum friction - Published in JOSS (2023)

https://github.com/quacateam/quaca

Science Score: 95.0%

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

  • CITATION.cff file
  • codemeta.json file
    Found codemeta.json file
  • .zenodo.json file
    Found .zenodo.json file
  • DOI references
    Found 1 DOI reference(s) in JOSS metadata
  • Academic publication links
  • Committers with academic emails
    4 of 9 committers (44.4%) from academic institutions
  • Institutional organization owner
  • JOSS paper metadata
    Published in Journal of Open Source Software

Keywords

casimir fluctuations integration physics quantum
Last synced: 6 months ago · JSON representation

Repository

QuaCa is an open-source library which provides fast calculations of nonequilibrium atom-surface interactions.

Basic Info
Statistics
  • Stars: 3
  • Watchers: 2
  • Forks: 2
  • Open Issues: 0
  • Releases: 1
Topics
casimir fluctuations integration physics quantum
Created almost 6 years ago · Last pushed over 2 years ago
Metadata Files
Readme Contributing License

README.md

QuaCa <!-- {docsify-ignore-all} -->

QuaCa stands for Quantum / Casimir Friction and is a numerical framework to calculate just that.

Dependencies

QuaCa requires:

  • GSL: integration routines
  • Boost: file parser and file handling
  • BLAS and LAPACK: fast linear algebra

Furthermore we use: * Armadillo: wrapper for linear algebra (uses LAPACK and BLAS) * Catch2: unit testing * docsify: documentation

Those prerequisites can easily be installed via apt install via the following command bash sudo apt-get update && sudo apt-get install libblas-dev liblapack-dev cmake make g++ libboost-filesystem-dev libboost-program-options-dev

or with conda:

bash conda env create --file environment.yml conda activate quaca-env

We currently do not support installation on Mac or Windows.

Installing

To obtain the source code type bash git clone https://github.com/QuaCaTeam/quaca.git into the console

Then to build the code type inside the project directory (if you use conda please activate quaca-env) ```bash $ cd quaca quaca $ mkdir -p build quaca $ cd build quaca/build $ cmake .. -DCMAKEPREFIXPATH=$CONDA_PREFIX #or just cmake .. if you don't use conda quaca/build $ make

```

Two executables called Friction and Decay should now have been build and can be found in the quaca/bin directory.

Documentation

For now we do not upload the documentation anywhere, so it can only be viewed locally using the following command from the command line

Python 2.7

bash quaca $ cd docs && python -m SimpleHTTPServer 3000

Python 3

bash quaca $ cd docs && python -m http.server 3000

You can then see the documentation in your browser at the address http://localhost:3000/.

Testing

Employing test-driven development, we are using Catch2 for our unit and integrated testing. To build and run all implemented test use bash quaca/build $ make test_quaca_unit quaca/build $ make test_quaca_integrated and afterwards run the tests from the bin/ directory bash quaca/bin $ ./test_quaca_unit quaca/bin $ ./test_quaca_integrated More detailled information is given in the section Testing.

Benchmark

For a benchmark we used a Intel(R) Core(TM) i7-7500U CPU @ 2.70GHz and Intel(R) Core(TM) i9-10900K CPU @ 3.70GHz and ran the tutorial configuration with

bash quaca/bin $ ./Friction --file ../data/.tutorial.json --threads {threads} and obtain following results

|Threads|max. 2.7GHz|max. 3.7GHz| |---|---|---| | 1| 1477 s | 623 s | | 2| 995 s | 319 s | | 3| 703 s | 222 s | | 4| 555 s | 170 s |

Contributing

Please read CONTRIBUTING.md for details on how you can become a part of this project.

Authors

Owner

  • Name: QuaCaTeam
  • Login: QuaCaTeam
  • Kind: organization

We are the owner and developer of the QuaCa code

JOSS Publication

QuaCa: an open-source library for fast calculations of steady-state quantum friction
Published
July 15, 2023
Volume 8, Issue 87, Page 5160
Authors
Marty Oelschläger ORCID
Max-Born-Institut, 12489 Berlin, Germany, dida Datenschmiede GmbH, Hauptstraße 8, 10827 Berlin, Germany, Humboldt-Universität zu Berlin, Institut für Physik, 12489 Berlin, Germany
Simon Hermann
Humboldt-Universität zu Berlin, Institut für Physik, 12489 Berlin, Germany
Christoph H. Egerland ORCID
Humboldt-Universität zu Berlin, Institut für Physik, 12489 Berlin, Germany
Daniel Reiche ORCID
Humboldt-Universität zu Berlin, Institut für Physik, 12489 Berlin, Germany
Editor
Lucy Whalley ORCID
Tags
fluctuation-induced phenomena atom-surface interaction quantum friction Casimir friction

GitHub Events

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Last Year

Committers

Last synced: 7 months ago

All Time
  • Total Commits: 448
  • Total Committers: 9
  • Avg Commits per committer: 49.778
  • Development Distribution Score (DDS): 0.658
Past Year
  • Commits: 0
  • Committers: 0
  • Avg Commits per committer: 0.0
  • Development Distribution Score (DDS): 0.0
Top Committers
Name Email Commits
Marty m****y@p****e 153
cheg e****c@p****e 135
simonmh s****n@p****e 59
Christoph c****r@p****e 40
ddanzer 6****r 31
cheg c****g@p****d 14
Christoph Egerland c****d@p****e 8
Marty Oelschläger m****r@d****o 6
Lucy Whalley l****y@n****k 2
Committer Domains (Top 20 + Academic)

Issues and Pull Requests

Last synced: 6 months ago

All Time
  • Total issues: 48
  • Total pull requests: 39
  • Average time to close issues: 6 months
  • Average time to close pull requests: about 1 month
  • Total issue authors: 5
  • Total pull request authors: 5
  • Average comments per issue: 0.52
  • Average comments per pull request: 0.26
  • Merged pull requests: 36
  • Bot issues: 0
  • Bot pull requests: 0
Past Year
  • Issues: 0
  • Pull requests: 0
  • Average time to close issues: N/A
  • Average time to close pull requests: N/A
  • Issue authors: 0
  • Pull request authors: 0
  • Average comments per issue: 0
  • Average comments per pull request: 0
  • Merged pull requests: 0
  • Bot issues: 0
  • Bot pull requests: 0
Top Authors
Issue Authors
  • myoelmy (31)
  • chegerland (7)
  • SiMaHer (6)
  • arkajitmandal (2)
  • ddanzer (2)
Pull Request Authors
  • myoelmy (18)
  • chegerland (10)
  • SiMaHer (8)
  • ddanzer (1)
  • lucydot (1)
Top Labels
Issue Labels
enhancement (11) bug (4) publication (4) invalid (2) documentation (1)
Pull Request Labels
enhancement (1)

Dependencies

docs/package-lock.json npm
  • docsify-pdf-embed-plugin 1.0.8
.github/workflows/build_and_test.yml actions
  • actions/checkout v3 composite
.github/workflows/draft-pdf.yml actions
  • actions/checkout v2 composite
  • actions/upload-artifact v1 composite
  • openjournals/openjournals-draft-action master composite
docs/node_modules/docsify-pdf-embed-plugin/package.json npm
environment.yml conda
  • armadillo
  • blas
  • boost-cpp
  • catch2
  • gsl
  • lapack