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mindlessgenas a pre-screening and optimization tool for metalorganic complexesenhancementNew feature or requestNew feature or requestscriptsScripts that depend on `MindlessGen` and add on some specific functionality via external scripts.Scripts that depend on `MindlessGen` and add on some specific functionality via external scripts.Status: Open.Add option to read in simple keywords for ORCA
enhancementNew feature or requestNew feature or requestStatus: Open.Cnrotation not recognized by TURBOMOLE (prevents symmetric optimization)algorithmRelated to the back-end algorithm for generating the mindless molecules.Related to the back-end algorithm for generating the mindless molecules.unconfirmedIssue has not been or cannot be confirmed.Issue has not been or cannot be confirmed.Status: Open.Add the option to change the probability of the atom type occurence
enhancementNew feature or requestNew feature or requestStatus: Open.Set number of "unique" atom types
enhancementNew feature or requestNew feature or requestStatus: Open.Increase electronic temperature for Fermi smearing when using xTB
enhancementNew feature or requestNew feature or requestStatus: Open.Documentation required
documentationImprovements or additions to documentationImprovements or additions to documentationStatus: Open.Element-specific scaling of vdW radii
algorithmRelated to the back-end algorithm for generating the mindless molecules.Related to the back-end algorithm for generating the mindless molecules.enhancementNew feature or requestNew feature or requestStatus: Open.#59 In grimme-lab/MindlessGen;Output of forbidden elements shows the array instead of the number of the element.
bugSomething isn't workingSomething isn't workingStatus: Open.#57 In grimme-lab/MindlessGen;Generate template
mindlessgen.tomlenhancementNew feature or requestNew feature or requestStatus: Open.#54 In grimme-lab/MindlessGen;Transparent information flow from external program to the user
enhancementNew feature or requestNew feature or requestStatus: Open.#47 In grimme-lab/MindlessGen;Avoiding 2D-like structures which are just a "chain" of atoms
enhancementNew feature or requestNew feature or requestStatus: Open.#46 In grimme-lab/MindlessGen;