- 20 Jul, 2023 1 commit
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Peter Eastman authored
* Always use nvrtc for compilation * Install nvrtc on CI * Workaround for compiler error * Set empty values for deprecated properties
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- 02 Aug, 2022 1 commit
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Peter Eastman authored
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- 06 Oct, 2021 1 commit
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Peter Eastman authored
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- 11 Feb, 2021 1 commit
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Peter Eastman authored
* Use command line compiler if it is explicitly specified * Don't set OPENMM_CUDA_COMPILER on Jenkins
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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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- 14 Feb, 2020 1 commit
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Peter Eastman 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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- 24 Oct, 2019 1 commit
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Andy Simmonett authored
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- 08 Oct, 2019 1 commit
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Peter Eastman authored
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- 24 Jan, 2018 1 commit
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Peter Eastman authored
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- 16 Jun, 2017 1 commit
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Peter Eastman authored
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- 19 Jan, 2017 1 commit
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Andy Simmonett authored
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- 01 Aug, 2016 1 commit
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peastman authored
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- 22 Apr, 2016 1 commit
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Peter Eastman authored
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- 21 Apr, 2016 1 commit
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Peter Eastman authored
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- 29 Mar, 2016 1 commit
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Peter Eastman authored
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- 04 Feb, 2016 1 commit
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Peter Eastman authored
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- 21 Jan, 2016 1 commit
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Peter Eastman authored
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- 20 Jan, 2016 1 commit
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peastman authored
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- 04 Nov, 2015 1 commit
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Peter Eastman authored
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- 02 Sep, 2015 1 commit
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peastman authored
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- 21 Oct, 2014 1 commit
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root authored
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- 18 Aug, 2014 1 commit
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peastman authored
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- 27 Jan, 2014 1 commit
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Yutong Zhao authored
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- 06 Jan, 2014 1 commit
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peastman authored
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- 13 Dec, 2013 1 commit
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peastman authored
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- 27 Jun, 2013 2 commits
- 24 Jun, 2013 1 commit
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peastman authored
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- 25 Apr, 2013 1 commit
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Peter Eastman authored
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- 08 Apr, 2013 1 commit
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Peter Eastman authored
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- 04 Apr, 2013 1 commit
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Peter Eastman authored
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- 28 Mar, 2013 1 commit
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Peter Eastman authored
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- 22 Mar, 2013 1 commit
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Peter Eastman authored
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- 12 Dec, 2012 1 commit
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Peter Eastman authored
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- 25 Oct, 2012 1 commit
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Peter Eastman authored
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- 24 Oct, 2012 1 commit
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Peter Eastman authored
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- 28 Sep, 2012 1 commit
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Peter Eastman authored
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- 21 Sep, 2012 1 commit
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Peter Eastman authored
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- 10 Jul, 2012 1 commit
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Peter Eastman authored
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