Skip to content

GitLab

"platforms/opencl/vscode:/vscode.git/clone" did not exist on "d2f76949b3ccac1139f0a0a0d1459aa47e2f0a98"
Switch branch/tag
  1. 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
  3. 22 Feb, 2021 1 commit
  5. 11 Feb, 2021 1 commit
  7. 02 Sep, 2020 1 commit
  9. 06 Mar, 2020 1 commit
  11. 07 Feb, 2020 1 commit
  13. 08 Jan, 2020 1 commit
    • peastman's avatar
      Common compute framework to unify CUDA and OpenCL code (#2488) · edbc8407
      peastman authored 
      * Began creating common compute framework to unify code between CUDA and OpenCL

* Began OpenCL implementation of common compute framework

* Common implementation of CMMotionRemover

* CUDA implementation of common compute interface

* Converted HarmonicBondForce to common compute API

* Converted standard bonded forces to common compute API

* Converted ExpressionUtilities to common compute API

* Created ComputeParameterSet

* Converted custom bonded forces to common compute API

* Converted CustomCentroidBondForce to common compute API

* Converted CustomManyParticleForce to common compute API

* Moved lots of duplicate code from CudaContext and OpenCLContext to ComputeContext

* Converted GayBerneForce to common compute API

* Removed obsolete kernels

* Converted verlet integrators to common compute API

* Converted Langevin and Brownian integrators to common compute API

* Converted CustomIntegrator to common compute API

* Converted CustomNonbondedForce to common compute API

* Removed uses of a deprecated API

* Fixed failing test cases

* Converted GBSAOBCForce to common compute API

* Began converting CustomGBForce to common compute API

* Finished converting CustomGBForce to common compute API

* Merged duplicated code in CudaIntegrationUtilities and OpenCLIntegrationUtilities

* Converted RMSDForce and AndersenThermostat to common compute API

* Converted CustomHbondForce to common compute API

* Merged scripts for encoding kernel sources

* Converted Drude plugin to common compute API

* Fixed errors in CMake scripts

* Attempt at fixing errors on Windows

* Added discussion of common compute API to developer guide

* Added Windows export macro for common classes

* Fixed error in CMMotionRemover

* Ubdated travis to newer Ubuntu version

* Fixed errors on CPU OpenCL

* Fixed Windows linking errors

* Added missing pragma for 32 bit atomics

* Replaced long long with mm_long

* More fixes to Windows linking

* Bug fix
      edbc8407
  15. 14 Jun, 2019 1 commit
  17. 03 Jul, 2018 1 commit
  19. 29 May, 2018 1 commit
  21. 16 May, 2018 1 commit
  23. 04 May, 2018 1 commit
  25. 20 Mar, 2018 2 commits
  27. 12 Feb, 2018 1 commit
  29. 07 Nov, 2017 1 commit
  31. 21 Sep, 2017 2 commits
  33. 15 Sep, 2017 1 commit
  35. 01 Sep, 2017 1 commit
  37. 24 Aug, 2017 1 commit
  39. 19 Jun, 2017 1 commit
  41. 16 Jun, 2017 1 commit
  43. 18 May, 2017 1 commit
  45. 03 Mar, 2017 1 commit
  47. 15 Feb, 2017 1 commit
  49. 13 Oct, 2016 1 commit
  51. 02 Sep, 2016 1 commit
  53. 19 Aug, 2016 1 commit
  55. 05 Aug, 2016 1 commit
  57. 27 Jul, 2016 1 commit
  59. 25 May, 2016 1 commit
  61. 21 Apr, 2016 1 commit
  63. 15 Dec, 2015 1 commit
  65. 14 Dec, 2015 1 commit
  67. 25 Oct, 2015 3 commits
  69. 08 Oct, 2015 1 commit
  71. 02 Oct, 2015 1 commit