- 03 Jun, 2013 2 commits
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peastman authored
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Yutong Zhao authored
Implemented RPMD ring polymer contraction
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- 01 Jun, 2013 1 commit
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peastman authored
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- 31 May, 2013 2 commits
- 30 May, 2013 2 commits
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peastman authored
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- 29 May, 2013 3 commits
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peastman authored
Add support for long long shuffle
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Yutong Zhao authored
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Yutong Zhao authored
Improved infrastructure for integrators
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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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- 24 May, 2013 17 commits
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Yutong Zhao authored
Bug fixes to use of shuffle
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peastman authored
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peastman authored
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Yutong Zhao authored
Completed implementation of DrudeSCFIntegrator. Also cleaned up other details of Drude plugin.
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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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https://github.com/peastman/openmmPeter authored
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peastman authored
Nonbonded.cu now uses shuffle intrinsic
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Yutong Zhao authored
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Yutong Zhao authored
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Yutong Zhao authored
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Yutong Zhao authored
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peastman authored
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Yutong Zhao authored
Fixed linker errors on Windows
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- 23 May, 2013 3 commits
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Peter Eastman authored
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Yutong Zhao authored
Fixes to a couple of bugs (in CustomIntegrator and DrudeLangevinIntegrator)
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peastman authored
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- 22 May, 2013 4 commits
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peastman authored
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peastman authored
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Yutong Zhao authored
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Yutong Zhao authored
Most of the features to support Drude particles are now complete and functional
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- 21 May, 2013 4 commits
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peastman authored
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peastman authored
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Yutong Zhao authored
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Yutong Zhao authored
Readme md
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- 20 May, 2013 1 commit
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Kyle Beauchamp authored
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