69 read general orca data such as file structure input settings version etc #71
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…ing input and version of the calculation
Parity with main
YHordijk
added
enhancement
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2 tasks
SiebeLeDe
approved these changes
Dec 18, 2023
SiebeLeDe
deleted the
69-read-general-orca-data-such-as-file-structure-input-settings-version-etc
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Finished laying the groundwork for reading ORCA calculations. This should be expanded once we start running more ORCA calculations. Currently it seems to work on some basic calculations (see fixtures in the test directory).