Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum chemistry package.
This release adds effective core potentials functionality and fixes a few bugs.
In particular, a backward compatibility issue has been solved with recent updates in pymatgen.
Version and documentation have been updated.
This release adds effective core potentials functionality and fixes a few bugs. In particular, a backward compatibility issue has been solved with recent updates in pymatgen. Version and documentation have been updated.