- 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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- 23 Nov, 2015 1 commit
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peastman authored
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- 05 Nov, 2015 2 commits
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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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- 03 Nov, 2015 2 commits
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Robert McGibbon authored
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Robert McGibbon authored
Swigged python docstrings now include documented return values and type information or their arguments. They are generated in numpydoc format. Furthermore, all of the Python app layer docstrings have been changed to numpydoc format. The filterPythonFiles.py script which helps to generate the Doxygen Python API docs has been updated to reflect these changes.
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- 02 Nov, 2015 1 commit
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Robert McGibbon authored
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- 26 Oct, 2015 1 commit
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Robert T. McGibbon authored
New advanced options OPENMM_BUILD_CPU_TESTS, OPENMM_BUILD_SERIALIZATION_TESTS, OPENMM_BUILD_REFERENCE_TESTS were added to the cmake configuration and disabled in the OpenCL test matrix element to increase speed. Redundant or unnecessary apt packages removed from the travis installation.
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- 07 Oct, 2015 1 commit
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Peter Eastman authored
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- 06 Oct, 2015 1 commit
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Peter Eastman authored
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- 05 Oct, 2015 1 commit
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Peter Eastman authored
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- 02 Oct, 2015 1 commit
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Peter Eastman authored
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- 29 Sep, 2015 5 commits
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Jason Swails authored
- Remove API change for AmoebaAngleForce so it goes back to only taking degrees. Handle conversion via a pythonprepend (since stripUnits is done in C++ now). - Do the same thing for TorsionTorsionForce, since angles are in degrees again - Add AmoebaVdwForce and AmoebaWcaForce tests
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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
angles are in degrees (unlike *every* other angle force out there), and stripUnits automatically reduces all angles to radians if they come in with units. The approach here is to *slightly* change the API, so that AmoebaAngleForce.addAngle interprets input angles <2*pi as radians, and >2*pi as degrees. This is heuristic, but should work in every case out in the wild so far. I've also updated the documentation to reflect this behavior, and fixed the units attached to the return value of AmoebaAngleForce.getAngleParameters() to return degrees instead of radians.
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- 25 Sep, 2015 1 commit
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peastman authored
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- 21 Sep, 2015 1 commit
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Peter Eastman authored
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- 17 Sep, 2015 1 commit
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peastman authored
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- 10 Sep, 2015 1 commit
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Peter Eastman authored
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- 03 Sep, 2015 2 commits
- 27 Aug, 2015 1 commit
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peastman authored
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- 24 Aug, 2015 2 commits
- 21 Aug, 2015 2 commits
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Peter Eastman authored
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peastman authored
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- 20 Aug, 2015 3 commits
- 19 Aug, 2015 3 commits
- 17 Aug, 2015 1 commit
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peastman authored
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- 14 Aug, 2015 1 commit
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peastman authored
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- 12 Aug, 2015 1 commit
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Peter Eastman authored
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- 11 Aug, 2015 2 commits