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Issues list

New version of output files enhancement New feature or request
#16 opened May 17, 2024 by YHordijk
Include name of orbital when orbital energies or overlaps, etc. bug Something isn't working
#15 opened May 16, 2024 by YHordijk
Fix column widths in output file bug Something isn't working
#14 opened May 16, 2024 by YHordijk
Parallelization of PyFrag enhancement New feature or request
#13 opened Mar 7, 2024 by YHordijk
Add orbital tracking bug Something isn't working enhancement New feature or request
#12 opened Feb 27, 2024 by YHordijk
Fix complex charge in unrestricted bug Something isn't working
#11 opened Feb 19, 2024 by SiebeLeDe
Combine backwards and forwards paths enhancement New feature or request
#8 opened Feb 16, 2023 by YHordijk
Trevor's suggestions
#7 opened Dec 16, 2022 by YHordijk
Add plotting functions
#5 opened Dec 15, 2022 by YHordijk
Add Python API
#4 opened Dec 15, 2022 by YHordijk
ProTip! Updated in the last three days: updated:>2024-12-20.