See discussion in https://github.com/JuliaMolSim/AtomsCalculators.jl/pull/22#discussion_r1654303210 in particular the suggestion to use `@error` and rethrow suggested here: https://github.com/JuliaMolSim/AtomsCalculators.jl/pull/22#discussion_r1666033975
See discussion in #22 (comment)
in particular the suggestion to use
@errorand rethrow suggested here: #22 (comment)