fix I(III/V), fix tests, add ability to fail w/o bond order#1
Merged
corinwagen merged 7 commits intomasterfrom Feb 26, 2026
Merged
fix I(III/V), fix tests, add ability to fail w/o bond order#1corinwagen merged 7 commits intomasterfrom
corinwagen merged 7 commits intomasterfrom
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Adds xyz2mol_tmc
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