"openmmapi/src/CompoundIntegrator.cpp" did not exist on "a24385093409749f137426cf1b05f9de7b79e76f"
- 01 Feb, 2021 1 commit
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Peter Eastman authored
* Top level Python module is now "openmm" * Updated module names in examples * Updated module names in documentation * Updated module in CI scripts * Added deprecation warning
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- 25 Dec, 2020 1 commit
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peastman authored
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- 20 Dec, 2018 1 commit
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Jason Swails authored
* Improve vec3 * Added a ``__neg__`` operator overload so that -Vec3(1, 2, 3) returns the same thing as Vec3(-1, -2, -3) * Derived Vec3 from namedtuple instead of tuple. This allows you to access the 3 elements of the vector by name. i.e., vec.x, vec.y, vec.z * Make sure we use floating point division all the time.
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- 22 Feb, 2017 1 commit
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peastman authored
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- 27 Aug, 2015 1 commit
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peastman authored
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- 13 Aug, 2015 1 commit
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Robert McGibbon authored
Clean up Fix OpenCL platform on low-end devices Close file before deleting in TestAmberPrmtopFile.py Close PDBx file before deleting to fix windows test failure in TestPDbxFile.py Fix test checkpoint reporter close file before repoening Add bytes typemap Update appveyor.yml Fix exit status Supress 4305 and 4244 warnings Print the last failed tests output Make numpy optional in test Improve scipy skip too Refactor TestCheckpointReporter.py to not require numpy test on the proper file Remove annoying -V
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- 05 Aug, 2015 1 commit
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Robert McGibbon authored
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- 04 Nov, 2014 2 commits
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Jason Swails authored
Add a test for the various numpy attributes (and the arguments they take) for the unit module.
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Jason Swails authored
Traceback (most recent call last): File ".../python/tests/TestNumpyCompatibility.py", line 87, in testNumpyAttributes d = self.data.reshape((100, 3)) File ".../simtk/unit/quantity.py", line 575, in reshape return Quantity(self._value.reshape(shape, order=order)) File ".../simtk/unit/quantity.py", line 142, in __init__ if value == first_item: ValueError: The truth value of an array with more than one element is ambiguous. Use a.any() or a.all() Also add a test for new unit numpy capabilities.
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- 01 Aug, 2013 1 commit
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peastman authored
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