1. 15 Jul, 2025 1 commit
  2. 01 Nov, 2023 1 commit
  3. 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
  4. 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
  5. 21 Mar, 2019 1 commit
  6. 06 Dec, 2017 1 commit
  7. 12 Jul, 2016 1 commit
  8. 03 Nov, 2015 1 commit
    • Robert McGibbon's avatar
      Improve docstrings · 98d053d4
      Robert McGibbon authored
      Swigged python docstrings now include documented return values and type
      information or their arguments. They are generated in numpydoc format.
      Furthermore, all of the Python app layer docstrings have been changed
      to numpydoc format. The filterPythonFiles.py script which helps to
      generate the Doxygen Python API docs has been updated to reflect these
      changes.
      98d053d4
  9. 24 Sep, 2015 1 commit
  10. 06 May, 2015 1 commit
  11. 19 Mar, 2015 1 commit
  12. 13 Feb, 2015 1 commit
  13. 30 Dec, 2014 2 commits
    • Jason Swails's avatar
      Fix up some of the documentation and add the usesPeriodicBoundaryConditions to · 1b44cb9e
      Jason Swails authored
      the barostats and andersen thermostat.
      1b44cb9e
    • Jason Swails's avatar
      Add a usesPeriodicBoundaryConditions() method to all of the Force classes and · ddbd992b
      Jason Swails authored
      the System. The System inspects all of its forces and calls
      usePeriodicBoundaryConditions -- it reports 'true' if at least one of its Forces
      returns 'true' for usesPeriodicBoundaryConditions.
      
      The default Force implementation is to raise an exception (NotImplementedError).
      The System implementation will return true if at least one of its Forces returns
      'true' for usesPeriodicBoundaryConditions, _regardless_ of whether or not one or
      more of the forces does not implement the method. If at least one of the forces
      does not implement usesPeriodicBoundaryConditions and all forces return false,
      an OpenMMException is thrown.
      ddbd992b
  14. 31 Jan, 2014 1 commit
  15. 27 Jan, 2014 1 commit
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  17. 15 Apr, 2013 1 commit
  18. 21 Dec, 2012 1 commit
  19. 07 Jun, 2012 1 commit
  20. 07 May, 2012 1 commit
  21. 11 Oct, 2010 1 commit
  22. 30 Sep, 2010 1 commit
  23. 05 May, 2010 1 commit
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  25. 06 Jan, 2010 1 commit
  26. 05 Jan, 2010 2 commits
  27. 18 Dec, 2009 1 commit
  28. 11 Dec, 2009 2 commits
  29. 25 Nov, 2009 2 commits
  30. 24 Nov, 2009 1 commit
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  33. 11 Nov, 2009 1 commit
  34. 03 Nov, 2009 1 commit
  35. 12 Sep, 2009 1 commit