- 09 Jul, 2025 1 commit
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Peter Eastman authored
* Unified storage of global parameters * Fixes to CUDA and HIP * Store global parameters as real instead of float
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- 16 Sep, 2021 1 commit
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Peter Eastman authored
* Allow querying current step count * Fixed error building Python wrapper
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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 Jun, 2017 1 commit
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peastman authored
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- 21 Apr, 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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- 04 Nov, 2015 1 commit
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Peter Eastman authored
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- 09 Apr, 2014 1 commit
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Robert McGibbon authored
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- 27 Jun, 2013 1 commit
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peastman 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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- 12 Dec, 2012 1 commit
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Peter Eastman authored
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- 16 Oct, 2012 1 commit
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Peter Eastman authored
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- 11 May, 2012 1 commit
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Peter Eastman authored
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- 15 Nov, 2011 1 commit
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Peter Eastman authored
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- 27 Oct, 2011 1 commit
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Peter Eastman authored
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- 22 Jul, 2011 1 commit
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Mark Friedrichs authored
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- 26 Apr, 2011 1 commit
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Peter Eastman authored
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- 23 Apr, 2011 1 commit
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Peter Eastman authored
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- 21 Apr, 2011 1 commit
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Peter Eastman authored
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- 10 May, 2010 1 commit
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Peter Eastman authored
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- 22 Dec, 2009 1 commit
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John Chodera authored
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- 25 Nov, 2009 1 commit
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Peter Eastman authored
Added a version of Platform::getPlatform() that looks up platforms by name. Added a Context constructor that allows platform-specific properties to be specified.
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- 24 Sep, 2009 1 commit
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Peter Eastman authored
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- 22 Sep, 2009 1 commit
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Peter Eastman authored
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- 18 Sep, 2009 1 commit
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Peter Eastman authored
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- 17 Sep, 2009 1 commit
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Peter Eastman authored
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- 11 Aug, 2009 1 commit
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Peter Eastman authored
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- 06 Aug, 2009 1 commit
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Peter Eastman authored
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- 28 Jul, 2009 1 commit
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Peter Eastman authored
Created a CudaPlatform property for specifying whether CUDA should sync or spin loop while waiting for results
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- 16 Jul, 2009 1 commit
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Peter Eastman authored
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- 14 Jul, 2009 1 commit
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Peter Eastman authored
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- 10 Jul, 2009 1 commit
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Peter Eastman authored
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- 26 Jun, 2009 1 commit
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Peter Eastman authored
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- 18 Jun, 2009 1 commit
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Peter Eastman authored
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- 14 May, 2009 1 commit
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Peter Eastman authored
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- 23 Apr, 2009 1 commit
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Michael Sherman authored
(2) Changed erfc.cpp to a header file which defines missing erf() and erfc() as static functions when using VC++ but otherwise does nothing. (3) Replaced all nonstandard uses of real() and imag() methods as lvalues; instead work directly with the complex values. (4) Fixed a bug in TestFindExclusions which was caught by VC++'s extensive STL debug mode self-examination. There are still problems in hilbert.c and not all CUDA tests pass.
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- 21 Apr, 2009 1 commit
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Peter Eastman authored
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- 19 Feb, 2009 1 commit
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Peter Eastman authored
Checked in explicit solvent implementation for Cuda platform (cutoffs, periodic boundary conditions, SETTLE)
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