mpurg / qtools
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Merge pull request #28 from mpurg/devel-mp

q_makefep - Couplings and Torsion output

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Builds Branch Commit Type Ran Committer Via Coverage
75 devel Merge pull request #28 from mpurg/devel-mp q_makefep - Couplings and Torsion output push web-flow travis-ci pending completion  
71 devel Fix for bug with incompatible pytest-cov version in Travis/py3.5. push mpurg travis-ci pending completion  
67 devel Merge pull request #26 from mpurg/devel-mp Latest *stable* Py3 version on its way to master... push web-flow travis-ci pending completion  
64 devel Update qgroupcontrib.py Compatibility with older fep files that use an offset. push web-flow travis-ci pending completion  
63 devel slightly more pleasing way to check the version of matplotlib push mpurg travis-ci pending completion  
62 devel slightly more pleasing way to check the version of matplotlib Pull #25 web-flow travis-ci pending completion  
61 devel Fix to make q_plot work with matplotlib 3.0+ Pull #25 web-flow travis-ci pending completion  
60 devel Minor bugfix in qgeninp. Reduntant setlocale() call can break q_genrelax.py. Unreproducable outside system configuration of unnamed PhD student. push mpurg travis-ci pending completion  
59 devel Minor bugfix in geninp.py. q_genrelax.py crashed when submission script or FEP file were not specified. push mpurg travis-ci pending completion  
58 devel Minor bugfix in q_makefep.py. Torsions for which the parameters were ordered differently in the parameter files were marked as changing, in turn unnecessarily flooding the FEP file. push mpurg travis-ci pending completion  
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