Contributing

Reaktoro is an open-source project, and we need your help to make it even more successful. You can contribute to the project in many ways, as shown next.

Supporting us financially

The development of Reaktoro is very costly. We rely on academic and industry funding to deliver you a state-of-the-art chemical modeling package with fast, robust, and modern numerical algorithms, containing support to a wide range of thermodynamic databases and modeling capabilities. Please consider helping us financially if you can, either via sponsorship or funded research in which we’ll develop what you need!

Reaktoro was designed from the ground up to be completely extensible. So whatever you need, we will be able to deliver you!

Sharing what you’ve got

If you have done some interesting calculations with Reaktoro to produce exciting figures, please share with us in Gitter or in Reaktoro’s Show and Tell Discussions. Consider partnering with us to write a tutorial or some other content on this website, and let everyone know about your fantastic work.

Reporting bugs

Please let us know if something did not work as expected. We’ll be happy to investigate the issue and work on a fix. To report a bug, please go to Reaktoro’s Issues and enter a descriptive title and write your issue with enough details.

Please provide a minimum reproducible example to be more efficient in identifying the bug and fixing it for you. Have you heard about Markdown? Please use Markdown syntax when writing your issues.

Proposing new features

You have a wish list for new features (e.g., certain modeling capabilities, supporting some specific thermodynamic databases, etc.), and you want to propose that to us. You can create a new discussion in Reaktoro’s Ideas Discussions.

We’ll do our best to get your proposed new features implemented. Understand, however, that we have limited resources and a tight schedule for ongoing projects, so your requested additions could take some time to materialize depending on their complexity.

If you foresee Reaktoro becoming an essential software component for your company’s scientific and engineering investigations or academic group, please consider financially supporting its development!

Performing benchmark calculations

You have used Reaktoro to perform some calculations for which you have experimental data (or performed similar analyses using other codes). We would be very excited if you could share with us your results! And if the results you obtained with Reaktoro are not great, please make sure we know about this, and we’ll be pleased to help you make your calculations more accurate.

Get in touch with us by going to Gitter and telling us what you want to share.

Contributing with documentation and examples

You want to contribute with some examples of using Reaktoro to solve some specific problems. We appreciate your effort and willingness to contribute.

Please go to Reaktoro’s Ideas Discussions and write a new discussion there, detailing what you want to do. Alternatively, chat with us in Gitter.

Contributing with development

We’ll be happy to have you onboard to develop Reaktoro further. Please let us know what you want to do by going to Reaktoro’s Ideas Discussions and detailing there your intended development contribution. You can also chat with us in Gitter.

We use the Fork & Pull Request Workflow to ensure everything works smoothly. Below is a summary of the necessary steps you need to take:

  1. Fork this repository

  2. Clone the repository at your machine

  3. Add your changes in a branch named after what’s being done (lower-case-with-hyphens)

  4. Make a pull request to reaktoro/reaktoro, targeting the main branch