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
  2. 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
  3. 09 May, 2017 1 commit
  4. 10 Feb, 2016 1 commit
  5. 02 Oct, 2015 1 commit
  6. 01 Apr, 2015 1 commit
  7. 07 Jan, 2015 1 commit
  8. 04 Sep, 2014 2 commits
  9. 03 Sep, 2014 1 commit
  10. 30 Aug, 2014 1 commit
  11. 29 Aug, 2014 3 commits
  12. 22 Aug, 2014 1 commit
  13. 21 Aug, 2014 1 commit
  14. 20 Aug, 2014 1 commit
  15. 19 Aug, 2014 3 commits
  16. 18 Aug, 2014 1 commit