1. 02 Apr, 2025 1 commit
    • Jinfeng's avatar
      Drude wrapper (#4871) · 1ece5c28
      Jinfeng authored
      * modifiy CMakeLists.txt to generate drude fortran wrapper
      
      * modify doxyfile and wrapper generation wrapper
      1ece5c28
  2. 28 Mar, 2025 1 commit
  3. 01 Sep, 2024 1 commit
    • Anton Gorenko's avatar
      Cleanup Cmake scripts for HIP platform · aca24d5f
      Anton Gorenko authored
      * Remove setting of link libraries, include and link dirs and compile
        flags for each target, instead let Cmake deal with them by linking the
        main library to hip::host hiprtc::hiprtc hip::hipfft;
      * Fix: custom command without ADD_CUSTOM_TARGET and ADD_DEPENDENCIES is
        executed for both static and shared targets;
      * Remove IF(APPLE) parts.
      aca24d5f
  4. 16 Jul, 2021 1 commit
  5. 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
  6. 26 Oct, 2015 1 commit
    • Robert T. McGibbon's avatar
      Rework .travis.yml to increase speed, especially for OpenCL · 2e3d3de8
      Robert T. McGibbon authored
      New advanced options OPENMM_BUILD_CPU_TESTS, OPENMM_BUILD_SERIALIZATION_TESTS,
      OPENMM_BUILD_REFERENCE_TESTS were added to the cmake configuration and disabled
      in the OpenCL test matrix element to increase speed. Redundant or unnecessary
      apt packages removed from the travis installation.
      2e3d3de8
  7. 27 Aug, 2015 1 commit
  8. 12 Aug, 2015 1 commit
  9. 03 Nov, 2014 1 commit
  10. 14 Sep, 2014 1 commit
  11. 11 Apr, 2014 1 commit
  12. 28 Jan, 2014 1 commit
  13. 12 Dec, 2013 1 commit
  14. 05 Dec, 2013 1 commit
  15. 26 Nov, 2013 1 commit
  16. 21 May, 2013 1 commit
  17. 14 May, 2013 1 commit