1. 20 Nov, 2021 1 commit
  2. 19 Nov, 2021 1 commit
  3. 18 Nov, 2021 3 commits
  4. 15 Nov, 2021 1 commit
  5. 13 Nov, 2021 1 commit
  6. 11 Nov, 2021 1 commit
  7. 09 Nov, 2021 1 commit
  8. 05 Nov, 2021 1 commit
  9. 03 Nov, 2021 1 commit
  10. 02 Nov, 2021 1 commit
    • Peter Eastman's avatar
      updateParametersInContext() can change tabulated functions (#3307) · 27bcb657
      Peter Eastman authored
      * updateParametersInContext() can change tabulated functions
      
      * Fixed error in building C wrappers
      
      * updateParametersInContext() can change tabulated functions for CustomCentroidBondForce
      
      * CustomNonbondedForce can update tabulated functions
      
      * CustomGBForce can update tabulated functions
      
      * CustomManyParticleForce can update tabulated functions
      
      * CustomHbondForce can update tabulated functions
      27bcb657
  11. 29 Oct, 2021 1 commit
  12. 26 Oct, 2021 1 commit
    • Peter Eastman's avatar
      Added AMOEBA 2018 force field (#3299) · 06767dde
      Peter Eastman authored
      * Adding support for new AMOEBA features
      
      * Support modern method of specifying in-plane angles
      
      * Implemented stretch-torsions
      
      * Implemented angle-torsions
      
      * More AMOEBA fixes
      
      * Bug fix
      
      * Converted AMOEBA 2018 force field
      
      * Added documentation for AMOEBA 2018
      
      * Added a missing file for tests
      06767dde
  13. 18 Oct, 2021 1 commit
  14. 14 Oct, 2021 1 commit
    • Peter Eastman's avatar
      Created MonteCarloFlexibleBarostat (#3284) · 9270d590
      Peter Eastman authored
      * Created MonteCarloFlexibleBarostat
      
      * Improved test cases
      
      * Documentation for MonteCarloFlexibleBarostat
      
      * Added a missing include
      
      * Serialization for MonteCarloFlexibleBarostat
      
      * Added MonteCarloFlexibleBarostat to C++ API docs index
      
      * Added citation for MonteCarloFlexibleBarostat
      9270d590
  15. 12 Oct, 2021 1 commit
  16. 11 Oct, 2021 1 commit
  17. 08 Oct, 2021 1 commit
  18. 06 Oct, 2021 1 commit
  19. 05 Oct, 2021 1 commit
  20. 04 Oct, 2021 2 commits
  21. 01 Oct, 2021 1 commit
  22. 30 Sep, 2021 2 commits
  23. 20 Sep, 2021 2 commits
  24. 17 Sep, 2021 2 commits
  25. 16 Sep, 2021 1 commit
  26. 09 Sep, 2021 1 commit
  27. 08 Sep, 2021 3 commits
  28. 07 Sep, 2021 1 commit
  29. 14 Aug, 2021 1 commit
  30. 13 Aug, 2021 1 commit
  31. 12 Aug, 2021 1 commit
  32. 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