fix the stability threshold in the python bindings

GQCG / GQCP

The Ghent Quantum Chemistry Package for electronic structure calculations

https://gqcg.github.io/GQCP/

GNU Lesser General Public License v3.0

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fix the stability threshold in the python bindings #1023

Closed xdvriend closed 2 years ago

xdvriend commented 2 years ago

Short description

The stability threshold in the python bindings was set to 1e-5 instead of -1e-5 causing some methods to return a false statement about stability when used in python.

lelemmen commented 2 years ago

Ooh, that's a nasty one to track down. Good job! 😃