- 27 Jun, 2013 2 commits
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Lee-Ping authored
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https://github.com/SimTk/openmmLee-Ping authored
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- 25 Jun, 2013 2 commits
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Yutong Zhao authored
Improved energy conservation in mixed precision mode
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peastman authored
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- 21 Jun, 2013 1 commit
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peastman authored
Fix hardcode SYSROOT on mac.
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- 20 Jun, 2013 1 commit
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Peter Eastman authored
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- 13 Jun, 2013 7 commits
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https://github.com/SimTk/openmmLee-Ping authored
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Yutong Zhao authored
Various bug fixes and code cleanup
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peastman authored
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peastman authored
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Justin MacCallum authored
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https://github.com/SimTk/openmmLee-Ping authored
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- 12 Jun, 2013 7 commits
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Lee-Ping authored
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Lee-Ping authored
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Lee-Ping authored
Using a const Vec3& instead of three doubles for the AnisotropicBarostat API. Still figuring out SWIG issues.
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peastman authored
Avoid writing malformed PDBs when the positions are too large.
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Robert McGibbon authored
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Robert McGibbon authored
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Lee-Ping authored
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- 11 Jun, 2013 1 commit
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Robert McGibbon authored
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- 06 Jun, 2013 1 commit
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https://github.com/SimTk/openmmLee-Ping authored
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- 04 Jun, 2013 4 commits
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https://github.com/peastman/openmmPeter authored
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peastman authored
Converted the array containing atom block indices for the neighbor list from ushort2 to int. This removes the hard limit of 2 million atoms.
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Yutong Zhao authored
Bug fix to Modeller
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peastman authored
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- 03 Jun, 2013 3 commits
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Yutong Zhao authored
Improved error checking
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peastman authored
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Yutong Zhao authored
Implemented RPMD ring polymer contraction
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- 02 Jun, 2013 1 commit
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Lee-Ping authored
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- 01 Jun, 2013 4 commits
- 31 May, 2013 3 commits
- 30 May, 2013 2 commits
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peastman authored
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- 29 May, 2013 1 commit
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peastman authored
Add support for long long shuffle
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