- 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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- 14 Jun, 2019 1 commit
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Peter Eastman authored
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- 29 May, 2018 1 commit
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peastman authored
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- 12 Feb, 2018 1 commit
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Peter Eastman authored
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- 02 Feb, 2018 1 commit
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Peter Eastman authored
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- 19 Jun, 2017 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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- 15 Feb, 2017 1 commit
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Peter Eastman authored
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- 05 Aug, 2016 1 commit
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Peter Eastman authored
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- 27 Jul, 2016 1 commit
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Peter Eastman authored
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- 25 May, 2016 1 commit
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Peter Eastman authored
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- 25 Oct, 2015 1 commit
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Robert T. McGibbon authored
This change is intended to improve the behavior when multiple CUDA contexts are created on a node with multiple CUDA GPUs, each of which is set to process-exclusive mode.
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- 15 May, 2015 1 commit
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peastman authored
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- 13 Feb, 2015 1 commit
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Peter Eastman authored
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- 07 Jan, 2015 1 commit
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Peter Eastman authored
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- 05 Jan, 2015 1 commit
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Peter Eastman authored
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- 08 Oct, 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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- 08 Nov, 2013 1 commit
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peastman authored
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- 01 Aug, 2013 1 commit
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peastman authored
Converted the routine for identifying molecules from a recursion to a loop. This avoids stack overflows with very long linear molecules.
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- 30 Jul, 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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- 28 Jun, 2013 1 commit
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peastman authored
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- 27 Jun, 2013 1 commit
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peastman authored
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- 21 Jun, 2013 1 commit
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peastman authored
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- 28 May, 2013 1 commit
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peastman authored
Integrators control when atom reordering gets done, instead of having it happen automatically when forces are evaluated. This simplifies some code, and also improves unintuitive behavior with CustomIntegrator.
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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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- 20 Oct, 2012 1 commit
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Peter Eastman authored
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- 02 Oct, 2012 1 commit
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Peter Eastman authored
Began implementing new mixed precision model that does integration in double precision and force evaluation in single precision
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- 28 Sep, 2012 1 commit
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Peter Eastman authored
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- 20 Jul, 2012 1 commit
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Peter Eastman authored
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- 03 Jul, 2012 1 commit
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Peter Eastman authored
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- 27 Jun, 2012 1 commit
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Peter Eastman authored
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- 16 Jun, 2012 1 commit
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Peter Eastman authored
Continuing to implement new CUDA platform: constraints, LangevinIntegrator, BrownianIntegrator, VariableLangevinIntegrator, VariableVerletIntegrator
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- 15 Jun, 2012 1 commit
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Peter Eastman authored
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- 08 Jun, 2012 1 commit
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Peter Eastman authored
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- 07 Jun, 2012 1 commit
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Peter Eastman authored
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- 05 Jun, 2012 1 commit
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Peter Eastman authored
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- 04 Jun, 2012 1 commit
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Peter Eastman authored
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