1. 27 Jan, 2022 1 commit
  2. 25 Jan, 2022 1 commit
  3. 01 Oct, 2021 1 commit
  4. 16 Sep, 2021 1 commit
  5. 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
  6. 12 Mar, 2021 1 commit
  7. 04 Mar, 2021 1 commit
  8. 09 Feb, 2021 1 commit
  9. 06 Feb, 2021 1 commit
  10. 01 Feb, 2021 1 commit
  11. 05 Jan, 2021 1 commit
  12. 25 Dec, 2020 1 commit
  13. 28 Jul, 2020 1 commit
  14. 01 Jul, 2020 1 commit
  15. 27 May, 2020 1 commit
  16. 06 May, 2020 1 commit
  17. 04 May, 2020 1 commit
    • Andy Simmonett's avatar
      Nosé Hoover Middle scheme (#2600) · 5f374e1d
      Andy Simmonett authored
      * Convert Nose-Hoover into LF middle scheme by copying NH kernels
      
      * Rebrand VelocityVerletIntegrator as NoseHooverIntegrator
      
      * Consolidate NH tests
      
      * NoseHooverChainKernel begone
      
      * Make Windows builds happy
      
      * Add missing header for Windows build
      
      * Fix mistake in CommonKernels header
      
      * Add 6th Yoshida-Suzuki and make it the default
      5f374e1d
  18. 27 Feb, 2020 1 commit
  19. 15 Nov, 2019 1 commit
  20. 12 Nov, 2019 1 commit
  21. 04 Nov, 2019 1 commit
  22. 01 Nov, 2019 3 commits
  23. 24 Oct, 2019 3 commits
  24. 30 Sep, 2019 1 commit
  25. 10 Sep, 2019 1 commit
  26. 19 Aug, 2019 1 commit
  27. 05 Jul, 2019 1 commit
  28. 29 Apr, 2019 1 commit
  29. 09 Apr, 2019 1 commit
    • peastman's avatar
      Created HippoNonbondedForce (#2296) · 1eec1e15
      peastman authored
      * Created API for HIPPO force field
      
      * Beginning of reference implementation of HIPPO
      
      * Continuing reference implementation of HIPPO
      
      * Continuing reference implementation of HIPPO
      
      * Continuing reference implementation of HIPPO
      
      * Continuing reference implementation of HIPPO
      
      * Continuing reference implementation of HIPPO
      
      * Continuing reference implementation of HIPPO
      
      * Continuing reference implementation of HIPPO
      
      * Completed reference of HIPPO with no cutoff
      
      * Beginning cutoffs/PME for reference implementation of HIPPO
      
      * Continuing PME for reference implementation of HIPPO
      
      * Continuing PME for reference implementation of HIPPO
      
      * Continuing PME for reference implementation of HIPPO
      
      * Completed reference implementation of HIPPO
      
      * Cleanup and optimization to HIPPO reference
      
      * Further cleanup to HIPPO
      
      * Combined direct space interactions into a single loop
      
      * Compute direct space interactions in quasi-internal frame
      
      * Beginning of CUDA implementation of HIPPO
      
      * Continuing CUDA implementation of HIPPO
      
      * Continuing CUDA implementation of HIPPO
      
      * Continuing CUDA implementation of HIPPO
      
      * Continuing CUDA implementation of HIPPO
      
      * Continuing CUDA implementation of HIPPO
      
      * Continuing CUDA implementation of HIPPO
      
      * Continuing CUDA implementation of HIPPO
      
      * Continuing CUDA implementation of HIPPO
      
      * Continuing CUDA implementation of HIPPO
      
      * Continuing CUDA implementation of HIPPO
      
      * Continuing CUDA implementation of HIPPO
      
      * Continuing CUDA implementation of HIPPO
      
      * Continuing CUDA implementation of HIPPO
      
      * Finished CUDA implementation of HIPPO
      
      * More features and test cases for HippoNonbondedForce
      
      * Serialization and Python API for HippoNonbondedForce
      
      * Fixed sign error in computing forces
      1eec1e15
  30. 23 Jul, 2018 1 commit
  31. 16 Mar, 2018 1 commit
  32. 23 Jan, 2018 1 commit
  33. 06 Sep, 2017 1 commit
  34. 25 Aug, 2017 1 commit
  35. 09 Aug, 2017 1 commit
  36. 08 Aug, 2017 1 commit