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Analysis can now be parallelized through MPI and targeting a YAML file which generated a YANK experiment. Features Added new ExperimentAnalyzer class as API call for auto_analyze like functions. Supports serialized output to Pickle Added new MultiExperimentAnalyzer class to analyze all experiments found in a YAML input file with the ExperimentAnalyzer. Supported by MPI for parallel action Unified all auto_analyze like objects to go through the ExperimentAnalyzer, such as the API and Jupyter Notebook calls Existing API calls should remain unchanged and serve as pass-throughs to the new classes Major changes to the CLI behavior of yank analyze and yank analyze report to support the new features. These should not affect existing code, only support new features. Bug fixes Fixed bug in yank selftest with the OpenEye tests. Also silenced the OpenEye internal tests due to time. Dependency checks are still active Improvements Update API docs
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