Developer’s guide

We strongly advise our contributors to check these guidlines before submitting their contributions.

Contents:

• How to contribute
  • Write the C++ method
• How to edit the documentation
• How to edit a Readme
• How to add a new representation
  • Write a Calculator for a representation
  • Implementing several types of the same representation
  • Write the python bindings of a new representation
  • Implement and test gradients
• How to write a test
  • Writing a Boost test
  • Writing a binding test
  • Testing gradients
• Running the tests
• Using Valgrind to check for memory errors
• Neighbour List Manager
  • Adaptors
  • Species Manager
• Forwarding of property requests
• Coding Convention
  • Objectives of the Convention
  • Documentation
  • Testing
  • C++ Coding Style and Convention
  • Python Coding Style
  • References
• Review process
• How to run benchmark for different parameters
• How to add a new benchmark