1. 20 Jul, 2023 1 commit
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  5. 04 May, 2020 1 commit
    • Andy Simmonett's avatar
      Nosé Hoover Middle scheme (#2600) · 5f374e1d
      Andy Simmonett authored
      * Convert Nose-Hoover into LF middle scheme by copying NH kernels
      
      * Rebrand VelocityVerletIntegrator as NoseHooverIntegrator
      
      * Consolidate NH tests
      
      * NoseHooverChainKernel begone
      
      * Make Windows builds happy
      
      * Add missing header for Windows build
      
      * Fix mistake in CommonKernels header
      
      * Add 6th Yoshida-Suzuki and make it the default
      5f374e1d
  6. 14 Feb, 2020 1 commit
  7. 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
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