QuaCa
QuaCa: an open-source library for fast calculations of steady-state quantum friction - Published in JOSS (2023)
Science Score: 95.0%
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○CITATION.cff file
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✓codemeta.json file
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✓.zenodo.json file
Found .zenodo.json file -
✓DOI references
Found 1 DOI reference(s) in JOSS metadata -
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4 of 9 committers (44.4%) from academic institutions -
○Institutional organization owner
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✓JOSS paper metadata
Published in Journal of Open Source Software
Keywords
Repository
QuaCa is an open-source library which provides fast calculations of nonequilibrium atom-surface interactions.
Basic Info
- Host: GitHub
- Owner: QuaCaTeam
- License: mit
- Language: C++
- Default Branch: master
- Homepage: https://quacateam.github.io/quaca/
- Size: 20.6 MB
Statistics
- Stars: 3
- Watchers: 2
- Forks: 2
- Open Issues: 0
- Releases: 1
Topics
Metadata Files
README.md
QuaCa <!-- {docsify-ignore-all} -->
QuaCa stands for Quantum / Casimir Friction and is a numerical framework to calculate just that.
Dependencies
QuaCa requires:
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
- Marty Oelschläger
- Simon Hermann
- Christoph Egerland
- Daniel Reiche
Owner
- Name: QuaCaTeam
- Login: QuaCaTeam
- Kind: organization
- Repositories: 1
- Profile: https://github.com/QuaCaTeam
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
Authors
Max-Born-Institut, 12489 Berlin, Germany, dida Datenschmiede GmbH, Hauptstraße 8, 10827 Berlin, Germany, Humboldt-Universität zu Berlin, Institut für Physik, 12489 Berlin, Germany
Humboldt-Universität zu Berlin, Institut für Physik, 12489 Berlin, Germany
Tags
fluctuation-induced phenomena atom-surface interaction quantum friction Casimir frictionGitHub Events
Total
Last Year
Committers
Last synced: 7 months ago
Top Committers
| Name | 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
Pull Request Labels
Dependencies
- docsify-pdf-embed-plugin 1.0.8
- actions/checkout v3 composite
- actions/checkout v2 composite
- actions/upload-artifact v1 composite
- openjournals/openjournals-draft-action master composite
- armadillo
- blas
- boost-cpp
- catch2
- gsl
- lapack