Skip to content

GitLab

Switch branch/tag
  1. 04 Nov, 2019 1 commit
  3. 01 Nov, 2019 2 commits
  5. 24 Oct, 2019 14 commits
  7. 20 Sep, 2019 1 commit
  9. 10 Sep, 2019 2 commits
  11. 27 Jun, 2019 1 commit
  13. 21 Jun, 2019 1 commit
  15. 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
  17. 21 Mar, 2019 1 commit
  19. 06 Feb, 2019 1 commit
  21. 21 Dec, 2018 1 commit
  23. 09 Nov, 2018 1 commit
  25. 08 Nov, 2018 1 commit
  27. 07 Nov, 2018 1 commit
  29. 20 Aug, 2018 1 commit
  31. 25 Jul, 2018 1 commit
  33. 17 Jul, 2018 1 commit
  35. 11 Jul, 2018 1 commit
  37. 20 Jun, 2018 1 commit
  39. 04 May, 2018 1 commit
  41. 27 Apr, 2018 1 commit
  43. 23 Jan, 2018 1 commit
  45. 22 Jan, 2018 1 commit
  47. 12 Jan, 2018 1 commit
  49. 06 Dec, 2017 1 commit