jaspsum does not read special setups in pseudopotentials

jkitchin / jasp

python enhancements of ase.calculators.vasp

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Closed prtkm closed 11 years ago

prtkm commented 11 years ago

The calculation runs with the correct setup, but jaspsum does not read it. This is probably due to a bug in get_pseudopotentials.

jkitchin commented 11 years ago

I think I fixed this in the dev branch this morning.