- 30 Jun, 2020 1 commit
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Peter Eastman authored
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- 29 Jun, 2020 1 commit
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Peter Eastman authored
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- 03 Jun, 2020 1 commit
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Thomas Trummer authored
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- 29 May, 2020 1 commit
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Thomas Trummer authored
This ensures that the correct argument size is used when calling clSetKernelArg.
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- 27 May, 2020 1 commit
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peastman authored
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- 21 May, 2020 1 commit
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Thomas Trummer authored
This is required by msvc when standard conformance mode is not enabled (DrudeNoseHooverIntegratorProxy.cpp(53): error C2065: 'not': undeclared identifier).
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- 04 May, 2020 1 commit
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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
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- 29 Apr, 2020 1 commit
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Marc Marí authored
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- 23 Mar, 2020 1 commit
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Alex Henrie authored
* Remove unused variable from CpuCustomGBForce::calculateIxn * Remove unused variable from CpuCalcCustomManyParticleForceKernel::initialize * Remove unused variable from CudaCalcCustomCVForceKernel::initialize * Remove unused variable from ReferenceCalcCustomManyParticleForceKernel::initialize * Remove unused variables from ReferenceObc::computeBornEnergyForces * Remove unused variable from AmoebaTorsionTorsionForceProxy::serialize
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- 12 Mar, 2020 1 commit
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peastman authored
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- 28 Feb, 2020 1 commit
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Andy Simmonett authored
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- 27 Feb, 2020 12 commits
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Andy Simmonett authored
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Andy Simmonett authored
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Andy Simmonett authored
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Andy Simmonett authored
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Andy Simmonett authored
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Andy Simmonett authored
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Andy Simmonett authored
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Andy Simmonett authored
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Andy Simmonett authored
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Andy Simmonett authored
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Andy Simmonett authored
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Andy Simmonett authored
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- 21 Feb, 2020 1 commit
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Zheng Gong authored
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- 08 Jan, 2020 1 commit
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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
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- 20 Dec, 2019 1 commit
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Andy Simmonett authored
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- 11 Dec, 2019 1 commit
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Andy Simmonett authored
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- 04 Dec, 2019 1 commit
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Andy Simmonett authored
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- 02 Dec, 2019 1 commit
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Andy Simmonett authored
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- 15 Nov, 2019 1 commit
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Andy Simmonett authored
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- 12 Nov, 2019 2 commits
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Andy Simmonett authored
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Andy Simmonett authored
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- 07 Nov, 2019 1 commit
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Andy Simmonett authored
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- 04 Nov, 2019 1 commit
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Andy Simmonett authored
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- 01 Nov, 2019 2 commits
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peastman authored
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Andy Simmonett authored
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- 29 Oct, 2019 1 commit
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Frazer Leslie Clews authored
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- 25 Oct, 2019 1 commit
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Andy Simmonett authored
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- 24 Oct, 2019 2 commits
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Andy Simmonett authored
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Frazer Leslie Clews authored
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