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March 10, 2025 00:16 2s main
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March 6, 2025 00:18 1s main
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ONIOM calc not passing # of unpaired electrons
Close Stale #546: Issue #1162 labeled by Albkat
March 5, 2025 14:45 2s
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February 28, 2025 00:18 2s main
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Questions about xtb-python and xtb
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February 27, 2025 06:46 2s
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Close Stale #538: Scheduled
February 27, 2025 00:18 1s main
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Segmentation fault for scan / constrained optimization for diatomic molecules
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