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[BUG] - adjacency_dict does not capture floater atoms, like single atom solvent molecules
bugSomething isn't workingSomething isn't workingStatus: Open.#97 In coltonbh/qcdata;[BUG] - view_2d broken due to removing struct.to_smiles() method
bugSomething isn't workingSomething isn't workingStatus: Open.#96 In coltonbh/qcdata;[BUG] - Serialization issue?
bugSomething isn't workingSomething isn't workingStatus: Open.#94 In coltonbh/qcdata;[ENHANCEMENT] - Add
qcio_versionfield that auto-fills for all objects upon first creationenhancementNew feature or requestNew feature or requestStatus: Open.#89 In coltonbh/qcdata;- Status: Open.#88 In coltonbh/qcdata;
[BUG] - view.view doesn't display opt information on failed TeraChem optimizations
bugSomething isn't workingSomething isn't workingStatus: Open.#86 In coltonbh/qcdata;[FEATURE] - Make
numpyarrays immutable like other attributesenhancementNew feature or requestNew feature or requestStatus: Open.#83 In coltonbh/qcdata;- Status: Open.#81 In coltonbh/qcdata;
- Status: Open.#79 In coltonbh/qcdata;
- Status: Open.#77 In coltonbh/qcdata;
- Status: Open.#75 In coltonbh/qcdata;
- Status: Open.#67 In coltonbh/qcdata;