turbomoleio 1.4.0

Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for TURBOMOLE.

The turbomoleio package provides an interface to Turbomole for preparing inputs, parsing outputs and other related tools.

The documentation can be found on https://matgenix.github.io/turbomoleio.

License

The turbomoleio package, a python interface to Turbomole for preparing inputs, parsing outputs and other related tools.

Copyright (C) 2018-2021 BASF SE, Matgenix SRL.

This file is part of turbomoleio.

Turbomoleio is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.

Turbomoleio is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.

You should have received a copy of the GNU General Public License along with turbomoleio (see ~turbomoleio/COPYING). If not, see <https://www.gnu.org/licenses/>.