- 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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- 20 Nov, 2021 1 commit
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Peter Eastman authored
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- 14 Oct, 2021 1 commit
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Peter Eastman authored
* Created MonteCarloFlexibleBarostat * Improved test cases * Documentation for MonteCarloFlexibleBarostat * Added a missing include * Serialization for MonteCarloFlexibleBarostat * Added MonteCarloFlexibleBarostat to C++ API docs index * Added citation for MonteCarloFlexibleBarostat
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- 02 Feb, 2021 1 commit
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Peter Eastman authored
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- 06 Jan, 2021 1 commit
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peastman authored
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- 27 Dec, 2020 1 commit
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peastman authored
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- 02 Nov, 2020 1 commit
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bdenhollander authored
4*(1<<30) evaluates to 0 so the check returns true on 2GB cards. Test runs fine on 2GB cards but requires over 4GB of system memory.
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- 20 Aug, 2020 1 commit
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peastman authored
* Fixed range overflow with very large numbers of atoms * More fixes to overflow with large numbers of atoms * Fix test failures
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- 02 Jun, 2020 1 commit
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Thomas Trummer authored
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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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- 30 Jan, 2020 1 commit
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peastman authored
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- 25 Oct, 2019 1 commit
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Andy Simmonett authored
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- 08 Oct, 2019 1 commit
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peastman authored
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- 23 Jan, 2018 1 commit
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peastman authored
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- 15 Jun, 2017 1 commit
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peastman authored
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- 14 Jun, 2017 1 commit
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peastman authored
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- 26 Jan, 2017 1 commit
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Peter Eastman authored
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- 20 May, 2016 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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- 15 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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- 26 Oct, 2015 1 commit
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Robert McGibbon authored
This patch creates a new build in the Travis-CI matrix that compiles and runs the OpenCL tests using the CPU OpenCL device (AMD drivers). Because not all of the tests can complete in the allotted 50 minutes, the ctest invocation is changed to run them in a random order. This also adds a new executable, TestOpenCLDeviceQuery, that prints out information about all of the OpenCL devices on the system.
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- 25 Oct, 2015 1 commit
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Robert McGibbon authored
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- 23 Sep, 2015 3 commits
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Peter Eastman authored
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Peter Eastman authored
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Peter Eastman authored
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- 22 Sep, 2015 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 21 Sep, 2015 1 commit
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Peter Eastman authored
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- 18 Sep, 2015 1 commit
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peastman authored
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- 03 Sep, 2015 2 commits
- 02 Sep, 2015 1 commit
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peastman authored
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- 27 Aug, 2015 1 commit
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peastman authored
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- 12 Aug, 2015 1 commit
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Peter Eastman authored
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- 30 Jul, 2015 1 commit
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John Chodera (MSKCC) authored
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- 20 Jul, 2015 1 commit
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peastman authored
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