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- Status: Open.#73 In coltonbh/qccompute;
[FEATURE] - Dependency Injection for Optimization Calculations
enhancementNew feature or requestNew feature or requestStatus: Open.#65 In coltonbh/qccompute;[BUG] - GeomeTRIC failing returns no stdout or other logs to user
bugSomething isn't workingSomething isn't workingStatus: Open.#62 In coltonbh/qccompute;[FEATURE] - Nicer handling of adapter-scoped imports
enhancementNew feature or requestNew feature or requestStatus: Open.#60 In coltonbh/qccompute;[BUG] - ARM installs with poetry do not work because
xtbdoes not have an ARM build on pypibugSomething isn't workingSomething isn't workingStatus: Open.#44 In coltonbh/qccompute;[FEATURE] - Add optimizations with Sella/ASE
enhancementNew feature or requestNew feature or requestStatus: Open.#33 In coltonbh/qccompute;[FEATURE] Move update_func up to just
BaseAdapter.compute()callenhancementNew feature or requestNew feature or requestStatus: Open.#30 In coltonbh/qccompute;geometric logs (DualOutputHandler) update to handle any arbitrary update function instead of just print_stdout
enhancementNew feature or requestNew feature or requestStatus: Open.#19 In coltonbh/qccompute;- Status: Open.#18 In coltonbh/qccompute;
Qcop CLI for converting xyz file to printed out array of arrays in bohr (sub issue of creating CLI)
enhancementNew feature or requestNew feature or requestStatus: Open.#16 In coltonbh/qccompute;