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Created with Raphaël 2.2.016Oct10930May9Apr330Mar26241311129Feb2820429Jan262576317Dec1620Nov5Oct10Sep4130Aug29262120144230Apr2227Feb242317141212Jan711Dec10858Aug7313Jul121124Apr426Mar25201917Sep18Aug17141312111098432131Jul302928272625242321201918177653228Junupdate writing of polynomial file compactor.3.0.4 master3.0.4 masterupdate to specify newline delimiter, and tests to use loops for numerical comparisons.3.0.33.0.3update kwarg used to match latest svgutils version.3.0.23.0.2update details to match current email and gitlab location.3.0.13.0.1update CI to use deployed phasexmlparser.3.0.03.0.0update to include xmlvalidator in requirements.update CI to use xmlvalidator from conda.refactor tests and update CI.update to add method to calculate psi_vdwupdate to clone of phasexmlparser.update to do a pull on the phasexmlparser module.update logging.update to use fractional occupancy XML instead of solvent.3.0.0.a53.0.0.a5update logging statements.update environment to have no build specification and mac environment.update with Gitlab location.Merge branch 'master' of https://bitbucket.org/mdd31/solventmapcreatoradd gitlab CI file with initial configuration.update readme.README.md edited online with Bitbucketupdate formattingMerge branch 'master' of https://bitbucket.org/mdd31/solventmapcreatorupdate readme.update test and increase debug.update plotting and output settings.update figure formating options and logging output.Merge branch 'master' of https://bitbucket.org/mdd31/solventmapcreatorinitial work on methods to plot binary similarity matrix information.Merge branch 'master' of https://bitbucket.org/mdd31/solventmapcreatorchange colour to black.update latex FGIP block.update to solvent ID parsing to also include temperature if stored in temperature based directory.update to doc and handling of directory kwargs.update to output filenames.update to include higher level function that takes solvent and energy filenames.update docs.add modules.rst to index and doc formatting.update to add temperature dependence on interaction in calculation.update docs.update to fix tests.