"platforms/cpu/src/CpuNonbondedForceVec8.cpp" did not exist on "c27f5d1f41a9e712331abb091b05b72b84e5c1a4"
  1. 20 Sep, 2021 1 commit
  2. 16 Sep, 2021 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
  4. 22 Jul, 2021 1 commit
  5. 15 Jul, 2021 1 commit
  6. 10 Mar, 2021 1 commit
  7. 28 Feb, 2021 1 commit
    • Peter Eastman's avatar
      Point based geometric functions for custom forces (#3037) · a85c2428
      Peter Eastman authored
      * Began implementing geometric functions on points
      
      * Started common implementation of point functions
      
      * Completed implementation of point functions for CustomCompoundBondForce
      
      * Implemented point functions for CustomCentroidBondForce
      
      * Implemented point functions for CustomManyParticleForce
      
      * Use point functions to simplify implementation of custom forces
      
      * Removed unnecessary code
      
      * Fixed typo
      a85c2428
  8. 11 Jan, 2021 1 commit
  9. 23 Sep, 2020 1 commit
  10. 28 Jul, 2020 1 commit
  11. 16 Jul, 2020 1 commit
  12. 24 Jun, 2020 3 commits
  13. 15 Jun, 2020 1 commit
  14. 09 Jun, 2020 1 commit
  15. 27 May, 2020 3 commits
  16. 24 May, 2020 7 commits
  17. 22 May, 2020 1 commit
  18. 06 May, 2020 1 commit
  19. 05 May, 2020 1 commit
  20. 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
  21. 01 May, 2020 1 commit
  22. 30 Apr, 2020 1 commit
    • dwtowner's avatar
      [WIP] CPU: Refactored code to be generic across vector CPU platforms. (#2661) · 91952b51
      dwtowner authored
      * CPU: Refactored code to be generic across vector CPU platforms.
      
      Ewald and non-Ewald interactions now share a common code base, templated on
      their interaction type.
      
      The vec4 and vec8 implementations have been replaced by a single generic implementation
      class which is templated on SIMD type. Currently works for SIMD4 and SIMD8 types, but
      can be extended in future to support other types (e.g., AVX-512).
      
      Modified runtime CPU support to lay groundwork for future SIMD types.
      
      Pulled out some vector utility functions (gather pair, reduce),
      and refactored the AVX CPU code to make use of them.
      
      * CPU: Fixed coding standards and incorrect header include.
      
      * CPU: Fixed code review comments from PR #2661
      
      * CPU: Fixed CI build issues.
      
      * CPU: Further CI fixes.
      
      * CPU: Fix for unit test failure on MacOS.
      
      Reverted optimised code to go back to a version which is thought to work
      on MacOS. The optimisation will be ...
      91952b51
  23. 24 Apr, 2020 1 commit
  24. 21 Apr, 2020 1 commit
  25. 31 Mar, 2020 1 commit
  26. 28 Mar, 2020 5 commits