- 29 Mar, 2020 1 commit
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Rasmus Wriedt Larsen authored
* Use list-comprehension in Python code A minor change, but slighly easier to understand the initialization of `parent_exclude_list` in my opinion. * Implement __ne__ in Python classes that has __eq__ In Python 3, `__ne__` is automatically implemented as `not __eq__`. However, in Python 2 it seems to be implemented as `not is` (so based on object identity). Based on setup.py [0] which says that "OpenMM requires Python 2.7 or better", it should be useful to have better support for Python 2 :) This was already done in 4 of the 12 classes that implements `__eq__` ``` >>> class WildCard(object): ... def __eq__(self, other): return True >>> w = WildCard() >>> w == 42 True >>> w != 42 True >>> w != w False ``` [0]: https://github.com/openmm/openmm/blob/5cef29ce8d4e17b6d0f9fd8a3c6cc1669ca0ba2b/wrappers/python/setup.py#L237 * Use umambiguous floor division for index calculations in Python This makes the code work as intended if run...
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- 04 Nov, 2019 1 commit
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Andy Simmonett authored
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- 24 Oct, 2019 1 commit
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Andy Simmonett authored
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- 08 Oct, 2018 1 commit
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peastman authored
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- 28 Nov, 2017 1 commit
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peastman authored
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- 22 Feb, 2017 1 commit
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peastman authored
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- 11 Nov, 2016 1 commit
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Jason Swails authored
- Make Python 2.7 a minimum requirement per pandegroup/openmm#1656 - Make the bond classes as well as other forcefield.py singletons inherit from Singleton to make them pickleable - Make class Bond inherit from namedtuple instead of tuple
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- 30 Sep, 2015 1 commit
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Jason Swails authored
Hard-code CC and CXX to clang for Macs, since gcc/g++ will *not* work with Anaconda, despite the fact that distutils will try to use them. System Python, homebrew, and MacPorts on Macs will always use clang, so this hack should always work and fix issues with users that have GCC installed from MacPorts or homebrew *and* Anaconda.
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- 27 Aug, 2015 1 commit
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peastman authored
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- 14 Jul, 2015 1 commit
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John Chodera (MSKCC) authored
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- 13 Jul, 2015 1 commit
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John Chodera (MSKCC) authored
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- 11 Jul, 2015 1 commit
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John Chodera (MSKCC) authored
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- 08 Jul, 2015 1 commit
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Robert McGibbon authored
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- 12 May, 2015 1 commit
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Robert T. McGibbon authored
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- 06 Nov, 2014 1 commit
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peastman authored
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- 05 Nov, 2014 1 commit
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peastman authored
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- 01 Aug, 2014 1 commit
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peastman authored
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- 10 Apr, 2014 1 commit
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Jason Swails authored
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- 09 Apr, 2014 1 commit
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Jason Swails authored
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- 10 Dec, 2013 1 commit
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peastman authored
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- 26 Nov, 2013 1 commit
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peastman authored
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- 02 Oct, 2013 1 commit
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peastman authored
Python records where OpenMM is installed, so it doesn't need to be specified with environment variables at runtime
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- 02 Aug, 2013 1 commit
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peastman authored
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- 01 Aug, 2013 1 commit
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Robert McGibbon authored
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- 17 May, 2013 1 commit
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Peter Eastman authored
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- 16 Apr, 2013 1 commit
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Peter Eastman authored
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- 18 Dec, 2012 1 commit
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Peter Eastman authored
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- 21 Nov, 2012 1 commit
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Peter Eastman authored
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- 12 Apr, 2012 1 commit
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Peter Eastman authored
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- 22 Mar, 2012 1 commit
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Peter Eastman authored
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- 21 Mar, 2012 1 commit
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Peter Eastman authored
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- 08 Feb, 2012 1 commit
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Peter Eastman authored
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- 23 Jan, 2012 1 commit
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Peter Eastman authored
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- 18 Nov, 2011 1 commit
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Peter Eastman authored
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- 07 Nov, 2011 1 commit
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Peter Eastman authored
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- 24 May, 2011 1 commit
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Peter Eastman authored
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- 28 Feb, 2011 1 commit
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Peter Eastman authored
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- 26 Feb, 2011 1 commit
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Peter Eastman authored
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