- 05 May, 2025 1 commit
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Peter Eastman authored
* Use common API for kernels * More code uses common interface * Bug fixes * Unified interface for sorting * Simplified interface for FFT * Use common event API for synchronization * Minor changes to make code more consistent between platforms * Common implementation of NonbondedForce * Bug fixes * Flag to enable list of single pairs * CUDA and OpenCL use common implementation of NonbondedForce * Fixed compilation error * HIP uses common implementation of NonbondedForce
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- 27 Dec, 2021 1 commit
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Peter Eastman authored
* Optimized CudaSort for non-uniformly distributed data * Optimized OpenCLSort for non-uniformly distributed data * Further tuned distributing elements between buckets * Copied optimizations over to OpenCL
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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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- 28 Sep, 2018 1 commit
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peastman authored
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- 03 May, 2018 1 commit
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peastman authored
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- 09 Feb, 2018 1 commit
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peastman authored
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- 08 Feb, 2018 1 commit
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peastman authored
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- 08 Jul, 2013 1 commit
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peastman authored
Platform specific header files get installed. This allows plugins to be built with just an OpenMM installation, not a full source tree.
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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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- 17 Oct, 2012 1 commit
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Peter Eastman authored
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- 10 Oct, 2012 1 commit
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Peter Eastman authored
OpenCLArray is no longer templatized and doesn't provide a host buffer. This is in preparation for adding mixed/double precision support.
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- 15 Mar, 2012 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 25 Jan, 2012 1 commit
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Peter Eastman authored
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- 13 Jan, 2012 1 commit
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Peter Eastman authored
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- 29 Nov, 2011 1 commit
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Peter Eastman authored
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- 25 Oct, 2011 1 commit
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Peter Eastman authored
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- 28 Apr, 2011 1 commit
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Peter Eastman authored
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- 07 Apr, 2010 1 commit
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Peter Eastman authored
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- 26 Jan, 2010 1 commit
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Peter Eastman authored
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- 20 Jan, 2010 1 commit
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Peter Eastman authored
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