Project scope
=============

The source-of-truth scope document is maintained in the repository at
``docs/project-scope.md``. Published documentation links to the stable repository
copy so the reference remains valid after ReadTheDocs builds HTML pages.

Read the full scope document on GitHub:
`docs/project-scope.md <https://github.com/joelaforet/SAMMD/blob/main/docs/project-scope.md>`_.

In brief, SAMMD is a Python-first builder/exporter of OpenFF/OpenMM-ready
chemistry, structure, and parameter artifacts for self-assembled monolayers on
metal supports. SAMMD builds; OpenMM runs minimization, equilibration,
production, trajectories, and reporters. The present milestone focuses on
reliable configuration, deterministic planning, OpenFF Interchange export,
documentation, and a canonical notebook.