- 13 Nov, 2025 1 commit
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Evan Pretti authored
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- 23 Sep, 2025 1 commit
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Evan Pretti authored
* Replace SimTK-containing file headers * Update file headers for new Tinker reader files added
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- 25 Apr, 2025 1 commit
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Peter Eastman authored
* Unified interface for FFTs * AMOEBA uses unified interface for FFTs * HIP implementation of common FFT interface
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- 26 Nov, 2024 1 commit
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Peter Eastman authored
* Use Intel OpenCL for CI * Set environment variables * Try to get CI to run * Debugging * Debugging * Fixes for Intel OpenCL
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- 31 Jan, 2023 1 commit
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Peter Eastman authored
* Use VkFFT for OpenCL * Updated comments for OpenCLFFT3D
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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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- 15 Feb, 2018 1 commit
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peastman authored
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- 16 Apr, 2015 2 commits
- 15 Apr, 2015 2 commits
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peastman authored
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Peter Eastman authored
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- 08 Apr, 2015 1 commit
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peastman authored
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- 03 Apr, 2015 1 commit
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Peter Eastman authored
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- 06 Mar, 2014 1 commit
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Peter Eastman authored
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- 23 Nov, 2013 1 commit
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peastman authored
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- 09 Sep, 2013 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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- 29 Apr, 2013 2 commits
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Yutong Zhao authored
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Yutong Zhao authored
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- 22 Mar, 2013 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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- 04 Nov, 2011 1 commit
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Peter Eastman authored
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- 08 Sep, 2011 1 commit
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Peter Eastman authored
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- 07 Sep, 2011 1 commit
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Peter Eastman authored
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- 28 Oct, 2010 1 commit
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Peter Eastman authored
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- 20 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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- 12 Jan, 2010 1 commit
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Peter Eastman authored
OpenCL kernels are now stored into a C++ class at build time rather than installing them as text files.
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- 17 Dec, 2009 2 commits
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Peter Eastman authored
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Peter Eastman authored
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