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Created with Raphaël 2.2.09Jun16Mar14Nov139Oct824Aug141328May241029Apr2827201927Mar19181721Feb201925Jan26Nov25228228Oct2722181730Sep2725242322211918141311108765131Aug302929May27Feb11Jan14Dec1312878Nov24Oct221918161514131216Aug1127Jul242119Jun15212May11327Apr11622Mar28Feb2724222124Jan16Dec141287128Nov2322211514131Oct2819Sep8731Aug23201711520Jul181276527Jun1410626May2517131211965429Apr28262220875124Mar22211817161514111097129Feb26252423221716151412111098ci: add Windows to CI build matrixdevdevbuild: update 'development status' classifierMerge branch 'main' into devMerge pull request #53 from jag1g13/devci: save cache by Python versionchore: rename `master` branch to `main`chore(release): 2.0.0v2.0.0v2.0.0Merge pull request #52 from jag1g13/devstyle: reformat all files with `black`feat: add secret flags for output formattingbuild: update dependencies in lockfilechore(release): 2.0.0-beta.5v2.0.0-beta.5v2.0.0-beta.5build: update dependencies in lockfilefeat: add flag to get version numberdocs: update readme textMerge remote-tracking branch 'origin/master' into devbuild: remove CodeQL job from CIfix: catch updated exception from MDTraj 1.9.7style: reformat util.py with longer line lengthfix: skip NaNs in bond sample outputrefactor: avoid cast to np.ndarray if possible in Boltzmann Inversionrefactor: replace float('inf') with math.infMerge pull request #47 from jag1g13/release/1.0.2v1.0.2v1.0.2build: prevent release body text being overwritten during publishchore(release): 2.0.0-beta.4v2.0.0-beta.4v2.0.0-beta.4fix: backup forcefield directories instead of overwritefix: add data files to installable packagefix: backup frame and forcefield output filesfix: create output directory if it doesn't existrefactor: clean up file backup functionfix(tests): add missing mapping test fileMerge remote-tracking branch 'origin/dev' into devtest: add test for using duplicate atoms for weightingfix: use correct reference coordinate for virtual bead calcci: add CodeQL checks with default templatechore(release): 2.0.0-beta.3v2.0.0-beta.3v2.0.0-beta.3chore: bump version numberbuild: disallow mdtraj version 1.9.6refactor: tidy PDB load checksstyle: fix minor linter complaints