.. The turbomoleio package, a python interface to Turbomole for preparing inputs, parsing outputs and other related tools. Copyright (C) 2018-2022 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 . ============== Reporting bugs ============== You can report bugs, request new features, and make contributions (e.g. providing patches) by opening a new issue on File bug reports or feature requests, and make contributions (e.g. code patches), by opening a "new issue" on GitHub: - turbomoleio issues: https://github.com/matgenix/turbomoleio/issues For bugs, please give as much information as you can in the issue. Try to provide a small self-contained code snippet that reproduces the problem. Also specify which version of turbomoleio you are using and as much information as you can about your environment (OS, python version, versions of external packages, Turbomole version, ...).