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Add keyword for adding SiteEnergies printing in the output
enhancementNew feature or requestNew feature or requestStatus: Open.New version of output files
enhancementNew feature or requestNew feature or requestStatus: Open.#16 In TheoChem-VU/PyFrag;Include name of orbital when orbital energies or overlaps, etc.
bugSomething isn't workingSomething isn't workingStatus: Open.#15 In TheoChem-VU/PyFrag;Fix column widths in output file
bugSomething isn't workingSomething isn't workingStatus: Open.#14 In TheoChem-VU/PyFrag;Parallelization of PyFrag
enhancementNew feature or requestNew feature or requestStatus: Open.#13 In TheoChem-VU/PyFrag;Add orbital tracking
bugSomething isn't workingSomething isn't workingenhancementNew feature or requestNew feature or requestStatus: Open.#12 In TheoChem-VU/PyFrag;Fix complex charge in unrestricted
bugSomething isn't workingSomething isn't workingStatus: Open.#11 In TheoChem-VU/PyFrag;Printing orbital interaction components per symmetry irrep in output
enhancementNew feature or requestNew feature or requestStatus: Open.#10 In TheoChem-VU/PyFrag;Combine backwards and forwards paths
enhancementNew feature or requestNew feature or requestStatus: Open.#8 In TheoChem-VU/PyFrag;- Status: Open.#7 In TheoChem-VU/PyFrag;
- Status: Open.#6 In TheoChem-VU/PyFrag;
- Status: Open.#5 In TheoChem-VU/PyFrag;