turbomoleio
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Published
20 hours ago •
Matgenix
Matgenix
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.
============================================== Turbomoleio: the python interface to 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/>.
Matgenix