1. 23 Jul, 2025 1 commit
    • Peter Eastman's avatar
      Virtual site for symmetric molecules (#4185) · bb3073d4
      Peter Eastman authored
      * Reference implementation of SymmetrySite
      
      * Common implementation of SymmetrySite
      
      * Removed duplicated code
      
      * Serialization for SymmetrySite
      
      * Fixed compilation error building C wrapper
      
      * Added SymmetrySite to user guide
      
      * Bug fix
      
      * Added P21 test case
      bb3073d4
  2. 19 Sep, 2023 1 commit
  3. 11 Aug, 2021 1 commit
    • Josh A. Mitchell's avatar
      Move to actively maintained dependencies for API docs (#3201) · ae2fe2fd
      Josh A. Mitchell authored
      * Proof of concept matching current behaviour with Breathe
      
      * Reorganise C++ API docs to work without autosummary
      
      * Revert to Sphinx-native search
      
      * Move remaining pip deps to conda
      
      * Remove unnecessary lunrsearch templates
      
      * Remove lunrsearch from cmake
      
      * Tidy up layout of API docs
      
      * Get code blocks to work with Breathe
      
      Breathe doesn't seem to support the Doxygen <preformatted> tag.
      It does support the <code> tag, but better yet it supports using
      <verbatim> tags to embed rst into docstrings. This commit changes
      all <pre> tags to use RST verbatim, and updates the Python
      documentation machinery to support it too.
      
      * Clarified some language
      
      * Have doxygen exclude undocumented classes and have sphinx fail on warnings for C++ API docs
      
      * List custom forces and integrators last
      
      * Add breathe to documentation CI
      
      * Typo
      
      * Fix link to custom forces in extras.rst
      
      * Have Breathe process only public classes
      
      * Strip OpenMM:: prefix from rst files to avoid colons in links
      
      * Remove existing private classes from EXCLUDE_SYMBOLS
      
      * Add comment to C++ cmake describing why we promote warnings to errors
      
      * Revise documentation build instructions for new dependencies
      ae2fe2fd