- 19 Feb, 2019 3 commits
- 07 Apr, 2017 1 commit
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Stephen Constable authored
This should fix CI build errors in parent repository.
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- 05 Apr, 2017 2 commits
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Stephen Constable authored
The old _is_gro_coord function inexplicably used split() even though gro files fixed field (nb: the parsing was still done correctly). Now it uses fixed field substrings.
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Stephen Constable authored
I have made things more technically correct: GROMACS processes pairs and exclusions separately. Also added proper support for fudgeLJ term. Also added improved gro file parsing (technically it’s a fixed-field format but this works too).
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- 04 Aug, 2016 1 commit
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peastman authored
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- 04 Nov, 2015 1 commit
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Robert McGibbon authored
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- 03 Nov, 2015 1 commit
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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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- 27 Aug, 2015 1 commit
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peastman authored
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- 09 Feb, 2015 1 commit
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Peter Eastman authored
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- 07 Feb, 2015 1 commit
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Peter Eastman authored
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- 15 Aug, 2013 1 commit
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peastman authored
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- 12 Jul, 2013 1 commit
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Justin MacCallum authored
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- 17 Apr, 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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- 10 Jan, 2013 1 commit
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Peter Eastman authored
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- 20 Sep, 2012 1 commit
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Peter Eastman authored
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- 29 May, 2012 1 commit
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Peter Eastman authored
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- 20 May, 2012 1 commit
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Lee-Ping Wang authored
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