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Contributing

Thank you for your interest in DryLab++. Since DryLab++ is a free and open-source project, we welcome contributions from those who share our passion for computational chemistry. We accept any form of contribution, whether it be fixing bugs, performance improvements, or documentation. If you haven't already, please refer to the Code of Conduct beforehand.

How to report bugs

  1. In the code repository, navigate to the Issues tab.
  2. Open a New Issue.
  3. Provide a concise title.
  4. In the description, provide the following information and any additional information you feel is useful:
    • Minimal Reproducible Example: The smallest bit of code that causes the crash or error.
    • The exact error message (if applicable).

How to contribute to the code

The README details, under the heading "Getting Started", how to download and compile the program yourself. From there, make sure to keep the following in mind before you make your Pull Request (PR):

  1. Create a new branch for your specific feature or fix.
  2. Ensure the project builds successfully with make (include any required changes to the Makefile).
  3. Submit your PR with a clear description of the changes.