Katharina Buchthal f7a3f044ff Adjust lower bounds to allow intramolecular H-Bonds (#9188) ...

* added test case

* implemented lower bounds of potential h-bonds

* suggested changes

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Co-authored-by: Katharina Buchthal <katharina.buchthal@phys.chem.ethz.ch>
Co-authored-by: greg landrum <greg.landrum@gmail.com>

2026-03-20 04:36:28 +01:00

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