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zerothi / sisl-files

Test files and other large files part of the sisl-suite
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Orca output files #3

Closed tfrederiksen closed 1 year ago

tfrederiksen commented 1 year ago

Some sample ORCA output files to develop tests in https://github.com/zerothi/sisl/pull/500.

zerothi commented 1 year ago

Could we rename run. Output to molecule.output, in case they are related, in that way we can add more files for other runs? Great you did this!

tfrederiksen commented 1 year ago

Done!