added Guideline for contributors

Author: simongravelle

CONTRIBUTING.md

@@ -0,0 +1,39 @@
+# Contributing to Learn Molecular Simulations with Python
+
+## How to Contribute
+
+### 1. Raise an Issue First
+
+Before making any changes or submitting a pull request (PR), **please open an issue**
+to discuss the proposed changes or features. This helps us ensure that:
+- Your idea aligns with the project’s goals.
+- There is no duplicate effort by other contributors.
+- We can provide feedback or suggestions before you start working.
+
+You can open an issue by [clicking here](./issues).
+
+### 2. Fork the Repository
+
+After your issue has been discussed and agreed upon, you can fork the repository
+and start working on your changes.
+
+### 3. Write Clear, Concise Commit Messages
+
+Each commit message should clearly describe what changes were made and why.
+This helps maintain a clean and understandable project history.
+
+### 4. Submit a Pull Request (PR)
+
+Once you've made your changes:
+- Push your changes to your fork.
+- Submit a PR to the main repository.
+
+### 5. Passing Tests is Mandatory
+
+Only PRs that pass all tests will be merged into the main branch. Please ensure
+that your code passes all existing tests from the *tests/* folder.
+
+### 6. Code Review
+Your PR will undergo a code review. Feedback will be provided, and some revisions
+may be requested. Once all issues are addressed and all tests pass, your PR will
+be merged.

README.md

@@ -16,6 +16,12 @@ The Python code that is written here is used to realize molecular
 scientific projects. Note that the code is slow and that efficiency is not the
 primary objective here.
 
+### Contributing
+
+We welcome contributions from the community. Before you start, please read our
+[Contributing Guidelines](./CONTRIBUTING.md). These guidelines will help you
+understand the process and expectations for contributing to the project.
+
 ### Automated tests
 
 The [tests/](tests/) folder contains a series of tests for the Python code written in the
@@ -35,6 +41,8 @@ readings are provided as needed.
 ### What is not (yet) in the code
 
 - molecules/shake,
+- electrostatic
+- Monte Carlo
 - thermostats and barostats other than Berendsen,
 - energy minimization methods other than the steepest descent.
 
@@ -63,5 +71,3 @@ GNU general public license v3.0.
 - Choose a different title? (Build Your Own Molecular Simulations with Python,
   Create Molecular Simulations with Python, Construct Molecular Simulations with Python)
 - Find a cool acronym. MS-PyLearn, LMS-py ?
-- add references
-- implement Nose-Hoover?