1. 22 May, 2021 1 commit
    • Peter Eastman's avatar
      Converted AMOEBA to common platform (#3120) · 8e8923a7
      Peter Eastman authored
      * Began converting AMOEBA to common platform
      
      * Beginning of OpenCL platform for AMOEBA
      
      * Converted AmoebaVdwForce to common platform
      
      * Cleaned up reference AMOEBA tests
      
      * Began converting AmoebaMultipoleForce to common platform
      
      * Continue converting AmoebaMultipoleForce to common platform
      
      * Bug fixes
      
      * Bug fix
      
      * Continue converting AmoebaMultipoleForce to common platform
      
      * Converting AmoebaMultipoleForce and AmoebaGeneralizedKirkwoodForce to common platform
      
      * Converting AmoebaMultipoleForce and AmoebaGeneralizedKirkwoodForce to common platform
      
      * Creating OpenCL version of AmoebaMultipoleForce and AmoebaGeneralizedKirkwoodForce
      
      * Creating OpenCL version of AmoebaMultipoleForce and AmoebaGeneralizedKirkwoodForce
      
      * Creating OpenCL version of AmoebaMultipoleForce and AmoebaGeneralizedKirkwoodForce
      
      * Converted arrays from real3 to real
      
      * Bug fix to OpenCL AmoebaGeneralizedKirkwoodForce
      
      * Fixes for AMD GPUs
      
      * Began converting HippoNonbondedForce to common platform
      
      * Continuing to convert HippoNonbondedForce to common platform
      
      * Continuing to convert HippoNonbondedForce to common platform
      
      * Working on unifying PME kernels
      
      * Fixed error on devices without 64 bit atomics
      
      * Unified PME kernels
      
      * Converted HippoNonbondedForce to common platform
      
      * Creating OpenCL implementation of HippoNonbondedForce
      
      * Continuing OpenCL implementation of HippoNonbondedForce
      
      * Mostly finished OpenCL implementation of HippoNonbondedForce
      
      * Eliminated three component vector types in host code
      
      * Fix errors on CPU OpenCL
      
      * Skip double precision tests for AMOEBA on OpenCL
      
      * Bug fixes
      
      * Bug fixes
      
      * Fixed compilation error
      8e8923a7
  2. 01 Jul, 2020 1 commit
  3. 30 Jun, 2020 1 commit
  4. 11 Sep, 2019 1 commit
  5. 10 Sep, 2019 2 commits
  6. 22 Aug, 2019 1 commit
  7. 21 Aug, 2019 1 commit
  8. 19 Aug, 2019 1 commit
  9. 23 Feb, 2015 1 commit
  10. 21 Feb, 2015 2 commits
  11. 08 Jan, 2015 1 commit
  12. 03 Jan, 2015 1 commit
    • Jason Swails's avatar
      More · 1f15a914
      Jason Swails authored
      } else { -->
      }
      else {
      
      However, these were not my additions originally, but rather part of the Amoeba
      test cases that have been around for awhile. I figured while I was at it, I
      might as well update these styles as well.
      1f15a914
  13. 30 Dec, 2014 1 commit
  14. 12 Dec, 2013 1 commit
  15. 21 Nov, 2012 1 commit
  16. 12 Oct, 2012 1 commit
  17. 30 Sep, 2012 1 commit
  18. 27 Sep, 2012 1 commit
  19. 12 Aug, 2012 1 commit
    • Mark Friedrichs's avatar
      Lee-Ping's vdw dispersion correction · 5209c1cd
      Mark Friedrichs authored
      added tests to TestCudaAmoebaVdwForce for dispersion correction using box of 216 water molecules
      AmoebaVdwForce and AmoebaMultipoleForce now throw execptions if cutoff > 0.5*(box size)
      5209c1cd
  20. 31 Jan, 2012 1 commit
  21. 29 Mar, 2011 1 commit
  22. 28 Feb, 2011 1 commit
  23. 07 Jan, 2011 1 commit
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  25. 21 Sep, 2010 1 commit