- 05 May, 2020 1 commit
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peastman authored
* Fixed OpenCL compiler errors * Fixed incorrect references to BAOAB * Fixed a method that was incorrectly made public
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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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- 01 May, 2020 1 commit
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dwtowner authored
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- 30 Apr, 2020 2 commits
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Chris Clark authored
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dwtowner authored
* CPU: Refactored code to be generic across vector CPU platforms. Ewald and non-Ewald interactions now share a common code base, templated on their interaction type. The vec4 and vec8 implementations have been replaced by a single generic implementation class which is templated on SIMD type. Currently works for SIMD4 and SIMD8 types, but can be extended in future to support other types (e.g., AVX-512). Modified runtime CPU support to lay groundwork for future SIMD types. Pulled out some vector utility functions (gather pair, reduce), and refactored the AVX CPU code to make use of them. * CPU: Fixed coding standards and incorrect header include. * CPU: Fixed code review comments from PR #2661 * CPU: Fixed CI build issues. * CPU: Further CI fixes. * CPU: Fix for unit test failure on MacOS. Reverted optimised code to go back to a version which is thought to work on MacOS. The optimisation will be ...
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- 29 Apr, 2020 2 commits
- 27 Apr, 2020 1 commit
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peastman authored
CompoundIntegrator handles checkpoints correctly
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- 26 Apr, 2020 4 commits
- 25 Apr, 2020 1 commit
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peastman authored
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- 24 Apr, 2020 22 commits
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peastman authored
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peastman authored
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peastman authored
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peastman authored
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peastman authored
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peastman authored
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peastman authored
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peastman authored
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peastman authored
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peastman authored
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peastman authored
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peastman authored
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peastman authored
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peastman authored
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peastman authored
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peastman authored
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peastman authored
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peastman authored
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peastman authored
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peastman authored
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peastman authored
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peastman authored
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- 23 Apr, 2020 5 commits