Felix Musil comments

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                                            Felix Musil

Rework/redesign the compiler flags

> We could instead have a ENABLE_WERROR I like this idea since we would still be warning free on our tested configurations.

Warn the user if two atoms are at the same position

So it's clearly SphericalHarmonics getting some weird inputs (like a zero vector). Could you check that the atoms and periodic images are not overlapping? If it's not something silly about...

Warn the user if two atoms are at the same position

There could be a warning at the level of the strict NL so that it's clear that whatever happens afterwards will be fishy. Should it just be a warning ?...