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Feature: Add VibrationalAnalysis
enhancementonly for internal usageonly for internal usagefeatureNew feature or requestNew feature or requestStatus: Open.Add an option to convert PQ outputed .xyz trajectory to extended xyz format
featureNew feature or requestNew feature or requestStatus: Open.Feature: Write Restart-File with Moltype
featureNew feature or requestNew feature or requestStatus: Open.#119 In MolarVerse/PQAnalysis;Thermal Expansion Coefficient
featureNew feature or requestNew feature or requestStatus: Open.#95 In MolarVerse/PQAnalysis;Adjust relative tolerance based on input
enhancementonly for internal usageonly for internal usageStatus: Open.#75 In MolarVerse/PQAnalysis;Extend FrameReader to be only a special case of a base class
featureNew feature or requestNew feature or requestStatus: Open.#68 In MolarVerse/PQAnalysis;- Status: Open.#44 In MolarVerse/PQAnalysis;
RDFLogFile
enhancementonly for internal usageonly for internal usageStatus: Open.#42 In MolarVerse/PQAnalysis;Units package
featureNew feature or requestNew feature or requestStatus: Open.#27 In MolarVerse/PQAnalysis;input file read qmcfc
featureNew feature or requestNew feature or requestStatus: Open.#10 In MolarVerse/PQAnalysis;