Trends in atomistic simulation engines

atomistic.software aims to track the citation trends of all major atomistic simulation engines.

This git repository contains the source code of the atomistic.software website.

Contributing

Corrections, updates and contributions of new simulation engines are always welcome!

Before contributing a new simulation engine, please check that your engine fits the scope and relevance criterion on atomistic.software/#/about.

Option 1: Make a pull request

Edit the src/data/codes.json file and make a pull request.

Note: There is no need to update citation counts. If necessary, this will be perfomed by the maintainer of this repository using the scholarly python package.

Option 2: Suggest addition/correction

If you're not familiar with GitHub or don't have time to add the engine yourself, feel free provide your suggestion via email to the author or by commenting on this GitHub issue.

How to cite

See atomistic.software/#/about.

Developing the app

This project was bootstrapped with Create React App and makes use of the great mui-datatable and nivo visualization library.

Tip: You don't need the (large & growing) gh-pages branch. Clone only the master branch via

git clone -b master --single-branch [email protected]:ltalirz/atomistic-software.git

You will need nodejs, e.g. from conda-forge:

conda install -c conda-forge nodejs

Finally, install the dependencies and run the app:

• npm install installs dependencies for running the app locally.
• npm start runs the app in the development mode.
• npm test launches the test runner in the interactive watch mode, see running tests.
• npm run build builds the app for production to the build folder (bundles React and optimizes for performance).
• npm run deploy deploys the app to GitHub pages.

License

The web application is licensed under the Affero General Public License version 3 (AGPL-3.0-only).

The data set in src/data is licensed under the Creative Commons Attribution-ShareAlike 4.0 International license (CC-BY-SA-4.0).

Acknowledgements & contact

See atomistic.software/#/about