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Increase threshold for lowest frequencies #1205

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@foxtran foxtran commented Feb 27, 2025

Fixes #1203

H2 eigvals are the following:

2.9933945092181844E-015   8.5529038621230392E-015   2.6862916288779701E-014   3.4268547221618851        3.4268547221618966        40.610372376753845

foxtran added 2 commits March 5, 2025 10:45
Signed-off-by: Igor S. Gerasimov <[email protected]>
Signed-off-by: Igor S. Gerasimov <[email protected]>
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foxtran commented Mar 5, 2025

@marvinfriede, can we merge it?

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Segmentation fault for scan / constrained optimization for diatomic molecules
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