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NumPy ImportError
bugSomething isn't workingSomething isn't workingStatus: Open.#291 In faccts/opi;Missing components in
Output.get_energies()enhancementNew feature or requestNew feature or requestStatus: Open.Also allow parsing from file with
add_arbitrary_string()enhancementNew feature or requestNew feature or requestStatus: Open.scf_converged is always false for external xtb
bugSomething isn't workingSomething isn't workinggood first issueA good issue for first-time contributorsA good issue for first-time contributorsStatus: Open.Libxc components are reject in the method block
bugSomething isn't workingSomething isn't workingStatus: Open.Missing ALPB solvation model
enhancementNew feature or requestNew feature or requestgood first issueA good issue for first-time contributorsA good issue for first-time contributorsStatus: Open.External xtb with
get_structureis missing charge and multiplicitygood first issueA good issue for first-time contributorsA good issue for first-time contributorsStatus: Open.Add getter function for normal modes from frequency calculations
enhancementNew feature or requestNew feature or requestgood first issueA good issue for first-time contributorsA good issue for first-time contributorsStatus: Open.Additional Error for
output.error_messageenhancementNew feature or requestNew feature or requestStatus: Open.Add code coverage analysis
enhancementNew feature or requestNew feature or requestStatus: Open.#232 In faccts/opi;Serialization of ORCA input parameters
enhancementNew feature or requestNew feature or requestStatus: Open.#217 In faccts/opi;Refactor config_dict properties
enhancementNew feature or requestNew feature or requestside outputConcerning parsing ORCA outputConcerning parsing ORCA outputStatus: Open.