- 17 Nov, 2015 2 commits
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peastman authored
Fix #1213 addInteractionGroup should accept `set` values as parameters
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Philip_Tzou authored
apparently SWIG typemaps maps Python's list but not set with std::set. Instead, Python's `set` is mapped with `std::unordered_set`. The original code of `swigInputBuilder.py` is kindly in a mess. Too much lines in a single method `writeMethods` which causes debug becomes difficult. Also there are a lot of warnings about [PEP8](https://www.python.org/dev/peps/pep-0008/). A refactoring in the future may be a good idea.
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- 16 Nov, 2015 2 commits
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peastman authored
Residue templates can specify atoms by name instead of index
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Peter Eastman authored
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- 13 Nov, 2015 7 commits
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peastman authored
AMD docstring fix
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Robert McGibbon authored
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Robert McGibbon authored
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Robert T. McGibbon authored
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Robert T. McGibbon authored
Deploy requires AWS region
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Robert McGibbon authored
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peastman authored
Deploy development docs to S3
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- 12 Nov, 2015 4 commits
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Robert T. McGibbon authored
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Robert T. McGibbon authored
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Robert McGibbon authored
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peastman authored
Better docstrings
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- 11 Nov, 2015 6 commits
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Robert McGibbon authored
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Robert McGibbon authored
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Peter Eastman authored
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peastman authored
Changes necessary for VS2015
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Robert T. McGibbon authored
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Robert McGibbon authored
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- 07 Nov, 2015 2 commits
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peastman authored
Added missing support for LocalCoordinatesSite
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Peter Eastman authored
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- 06 Nov, 2015 5 commits
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peastman authored
addExtraParticles() can use bonds to select positions
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peastman authored
ForceField will not create duplicate constraints
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Peter Eastman authored
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peastman authored
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peastman authored
Fixed a race condition in energy computation
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- 05 Nov, 2015 12 commits
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Peter Eastman authored
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Robert McGibbon authored
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Robert McGibbon authored
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Robert McGibbon authored
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Robert McGibbon authored
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peastman authored
Update appveyor.yml
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peastman authored
Fix a handful of compiler warnings
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Jason Swails authored
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Jason Swails authored
These are worth fixing because they're in header files that are always included (rather than just hitting them at OpenMM compile-time). The SWIG interface now builds without warnings on my machine.
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Robert McGibbon authored
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Robert McGibbon authored
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peastman authored
Implemented CompoundIntegrator
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