- 25 Jan, 2016 5 commits
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Saurabh Belsare authored
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Saurabh Belsare authored
Modified dummy cuda getLabFramePermanentDipoles from getSystemMultipoles to getInducedDipoles Implementation
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Saurabh Belsare authored
Added LabFramePermanentDipole function to the cuda kernels files, but it currently works as getSystemMultipoleMoments
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Saurabh Belsare authored
Added LabFramePermanentDipole function to the cuda kernels files, but it currently works as getSystemMultipoleMoments
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Saurabh Belsare authored
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- 23 Jan, 2016 1 commit
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Saurabh Belsare authored
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- 20 Jan, 2016 3 commits
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Saurabh Belsare authored
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Saurabh Belsare authored
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Saurabh Belsare authored
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- 19 Jan, 2016 1 commit
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Saurabh Belsare authored
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- 18 Jan, 2016 9 commits
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Saurabh Belsare authored
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Saurabh Belsare authored
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Saurabh Belsare authored
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Saurabh Belsare authored
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Saurabh Belsare authored
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Saurabh Belsare authored
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Saurabh Belsare authored
Created a public verison of the applyRotationMatrix function so that it can be accessed from outside
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Saurabh Belsare authored
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- 16 Jan, 2016 1 commit
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Saurabh Belsare authored
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- 14 Jan, 2016 1 commit
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Saurabh Belsare authored
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- 11 Dec, 2015 1 commit
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Saurabh Belsare authored
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- 02 Dec, 2015 1 commit
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peastman authored
Support nucleic acids in AMOEBA 2009
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- 01 Dec, 2015 1 commit
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peastman authored
Add CONECT bonds for multi-model pdb files
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- 25 Nov, 2015 1 commit
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Rafal P. Wiewiora authored
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- 23 Nov, 2015 2 commits
- 21 Nov, 2015 1 commit
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peastman authored
Increased SHAKE iterations when positioning extra particles
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- 20 Nov, 2015 7 commits
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peastman authored
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peastman authored
Amber switching
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Jason Swails authored
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Jason Swails authored
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Jason Swails authored
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Jason Swails authored
Conflicts: wrappers/python/simtk/openmm/app/amberprmtopfile.py In fixing the merge conflict, I went ahead and fixed up the switchDistance logic to match what I did in CharmmPsfFile.
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peastman authored
Deleted GBVIForce
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- 19 Nov, 2015 3 commits
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Peter Eastman authored
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peastman authored
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Peter Eastman authored
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- 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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