Abstract
Changes: Avoid spin propensity calculations for calculators without spin multiplicity setting Write the trajectory with the trajectory with the structures and energies optimized during the B-spline optimization to file (BSpline Task)
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https://doi.org/10.3929/ethz-b-000611911External links
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ZenodoOrganisational unit
03736 - Reiher, Markus / Reiher, Markus
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