1. 30 Jul, 2019 1 commit
  2. 29 Jul, 2019 2 commits
  3. 12 Jul, 2019 2 commits
  4. 05 Jul, 2019 1 commit
  5. 16 Jun, 2019 2 commits
  6. 15 Jun, 2019 1 commit
  7. 14 Jun, 2019 1 commit
  8. 06 Jun, 2019 1 commit
  9. 03 Jun, 2019 1 commit
  10. 08 May, 2019 1 commit
  11. 29 Apr, 2019 1 commit
  12. 16 Apr, 2019 2 commits
  13. 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
  14. 22 Mar, 2019 1 commit
  15. 05 Mar, 2019 5 commits
  16. 01 Mar, 2019 1 commit
  17. 27 Feb, 2019 3 commits
  18. 26 Feb, 2019 4 commits
  19. 20 Feb, 2019 1 commit
  20. 19 Feb, 2019 5 commits
  21. 18 Feb, 2019 1 commit
  22. 20 Dec, 2018 2 commits
    • peastman's avatar
      6f44f338
    • Jason Swails's avatar
      Improve vec3 (#2230) · 4eb893cf
      Jason Swails authored
      * Improve vec3
      
      * Added a ``__neg__`` operator overload so that -Vec3(1, 2, 3) returns
        the same thing as Vec3(-1, -2, -3)
      * Derived Vec3 from namedtuple instead of tuple. This allows you to
        access the 3 elements of the vector by name. i.e., vec.x, vec.y, vec.z
      
      * Make sure we use floating point division all the time.
      4eb893cf