This repository was archived by the owner on Jul 2, 2021. It is now read-only.
This repository was archived by the owner on Jul 2, 2021. It is now read-only.
Cartesian basis functions #15
Description
Conversion and analysis of data with Cartesian basis sets (6 d functions, 10 f functions, etc.) is wrong, at least from an HDF5 file. The reason is probably that the HDF5 itself is wrong (see https://gitlab.com/Molcas/OpenMolcas/issues/25)