Empty line after ATOMIC_SPECIES makes the parser fail

aiidateam / qe-tools

A set of useful tools for Quantum ESPRESSO

MIT License

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Empty line after ATOMIC_SPECIES makes the parser fail #52

Open giovannipizzi opened 3 years ago

giovannipizzi commented 3 years ago

The attached file input.txt cannot be parsed by the current version of the library; removing the empty line after ATOMIC_SPECIES works, instead. Probably the easiest solution (probably also to similar other issues in other cards and namelists) would be to remove empty lines before parsing?

greschd commented 3 years ago

Yeah, agreed that removing empty lines would make sense. I tried having a quick look into the Fortran documentation, but couldn't find conclusive evidence either way whether empty lines are (always) ignored.