1. 06 Sep, 2024 1 commit
    • Peter Eastman's avatar
      Optimize updateParametersInContext() (#4610) · 78902bed
      Peter Eastman authored
      * Optimize CustomNonbondedForce.updateParametersInContext()
      
      * Optimized uploading changed values to GPU
      
      * Optimized updateParametersInContext() for lots of bonded forces
      
      * Optimized updateParametersInContext() for CustomExternalForce
      
      * Optimized updateParametersInContext() for NonbondedForce
      
      * Code changes for HIP platform
      78902bed
  2. 12 Apr, 2016 1 commit
  3. 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
  4. 19 Mar, 2015 1 commit
  5. 03 Jan, 2015 1 commit
  6. 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
  7. 05 Apr, 2014 1 commit
  8. 15 Apr, 2013 1 commit
  9. 21 Dec, 2012 1 commit
  10. 09 Aug, 2012 1 commit
  11. 06 Jun, 2012 1 commit
  12. 05 Jan, 2010 1 commit
  13. 01 May, 2009 1 commit
  14. 21 Apr, 2009 1 commit
  15. 17 Apr, 2009 1 commit
  16. 22 Oct, 2008 2 commits