[fix] use RTE_THROW() macro in more places

electronic-structure / SIRIUS

Domain specific library for electronic structure calculations

BSD 3-Clause "New" or "Revised" License

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Closed toxa81 closed 9 months ago

toxa81 commented 9 months ago

I'm debugging cp2k+sirius which fails in strange places. First thing to do is to have meaningful error messages in the places where it fails.