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If constrains are set in the refinement step now the same constrains are set in the postprocess via the usage of xtb with orca as a driver. #145

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Merged
jonathan-schoeps merged 8 commits into from
Jan 7, 2026

changed the test_orca.py testsuite to match the test_xtb.py tests

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Merged

If constrains are set in the refinement step now the same constrains are set in the postprocess via the usage of xtb with orca as a driver. #145

changed the test_orca.py testsuite to match the test_xtb.py tests
5b5370e
Select commit
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