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NOTICE
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TQChem includes components that are licensed from third parties:
-------------------------------------------------------------------------------
BSD 3-Clause License
-------------------------------------------------------------------------------
The following libraries are licensed under the BSD 3-Clause license:
- numpy (>=1.26.4,<2) | Copyright (c) 2005-2024, NumPy Developers.
- pandas (>=2.2.3) | Copyright (c) 2008-2024, Open source contributors.
- networkx (>=3.4.1,<4) | Copyright (C) 2004-2024, NetworkX Developers
- rdkit (>=2024.3.5,<2025) | Copyright (c) 2022 Christopher Kuenneth
Redistribution and use in source and binary forms, with or without modification,
are permitted provided that the following conditions are met:
1. Redistributions of source code must retain the above copyright notice,
this list of conditions, and the following disclaimer.
2. Redistributions in binary form must reproduce the above copyright notice,
this list of conditions, and the following disclaimer in the documentation
and/or other materials provided with the distribution.
3. Neither the name of Awesome Software Co. nor the names of its contributors
may be used to endorse or promote products derived from this software
without specific prior written permission.
THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE
FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL
DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR
SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER
CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY,
OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE..
-------------------------------------------------------------------------------
Apache License 2.0
-------------------------------------------------------------------------------
The following libraries are licensed under the Apache License:
- grpcio (>=1.62.2,<2) | Copyright 2016, Google Inc.
- grpcio-tools (>=1.62.2,<2) | Copyright 2016, Google Inc.
- grpcio-reflection (>=1.62.2,<2) | Copyright 2016, Google Inc.
Licensed under the Apache License, Version 2.0 (the "License");
you may not use this file except in compliance with the License.
You may obtain a copy of the License at
http://www.apache.org/licenses/LICENSE-2.0
Unless required by applicable law or agreed to in writing, software
distributed under the License is distributed on an "AS IS" BASIS,
WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
See the License for the specific language governing permissions and
limitations under the License.
-------------------------------------------------------------------------------
MIT License
-------------------------------------------------------------------------------
The following libraries are licensed under the MIT License:
- pytest (>=8.3.3,<9) | Copyright (C) 2004 Holger Krekel and others
- pytest-cov (>=5.0.0,<6) | Copyright (c) 2010 Meme Dough
- pytest-xdist (>=3.6.1,<4) | Copyright (C) 2010 Holger Krekel and contributors
- plotly (>=5.24.1) | Copyright (c) 2016-2024 Plotly Technologies Inc.
- py3Dmol (>=2.4.0,<3) | Copyright (c) 2014, University of Pittsburgh and contributors
- openff-toolkit (>=0.16.5,<0.17) | Copyright (c) 2016-2019 Open Force Field Initiative
- nglview | Copyright © 2015 Alexander S. Rose
- pre_commit (>=4.0.1,<5) | Copyright (c) 2014 pre-commit dev team: Anthony Sottile, Ken Struys
- py-machineid (>=0.6.0,<0.7) | Copyright (c) 2022 Keygen LLC
- mypy (>=1.12.0,<2) | Copyright (c) 2012-2023 Jukka Lehtosalo and contributors, Copyright (c) 2015-2023 Dropbox, Inc.
- pip (>=24.2,<25) | Copyright (c) 2008-present The pip developers
- openmmforcefields (>=0.14.1) | Copyright (c) 2016-2019 by Chodera lab // Memorial Sloan Kettering Cancer Center, Pande group // Stanford University
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
furnished to do so, subject to the following conditions:
The above copyright notice and this permission notice shall be included in all
copies or substantial portions of the Software.
THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
SOFTWARE.
-------------------------------------------------------------------------------
LGPL-3.0-or-later
-------------------------------------------------------------------------------
The following libraries are licensed under the GNU Lesser General Public License v3.0 or later:
- tblite-python (>=0.3.0,<0.4) | © 2024 Anaconda, Inc. All Rights Reserved.
- ase (>=3.23.0,<4) | Copyright (C) 1991, 1999 Free Software Foundation, Inc.
This program is free software: you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.
This program 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 Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License along with this program. If not, see <https://www.gnu.org/licenses/>.
-------------------------------------------------------------------------------
BSD License
-------------------------------------------------------------------------------
The following libraries are licensed under the BSD License:
- nbval (>=0.11.0) | Copyright (C) 2014 Oliver W. Laslett, David Cortes-Ortuno, Maximilian Albert, Ondrej Hovorka, Hans Fangohr (University of Southampton, UK)
Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met:
1. Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer.
2. Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution.
3. Neither the name of the copyright holder nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission.
THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-------------------------------------------------------------------------------
LGPL and MIT License
-------------------------------------------------------------------------------
The following library is licensed under both LGPL and MIT licenses:
- openmm (>=8.1.2,<9) | Copyright (c) 2008-2023 Stanford University and the Authors
For the LGPL portion:
This library is free software; you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License version 3.0 as published by the Free Software Foundation.
This library 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 Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License along with this library; if not, write to the Free Software Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
The full text of the LGPL 3.0 license can be found at: https://www.gnu.org/licenses/lgpl-3.0.html
The full text of the GPL 3.0 license can be found at: https://www.gnu.org/licenses/gpl-3.0
For the MIT portion:
Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions:
The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software.
THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
-------------------------------------------------------------------------------
Python Software Foundation License
-------------------------------------------------------------------------------
The following libraries are licensed under the ISC License:
- matplotlib (>=3.9.2,<4) | Copyright (c) Python Software Foundation.
1. This LICENSE AGREEMENT is between the Python Software Foundation
(“PSF”), and the Individual or Organization (“Licensee”) accessing and
otherwise using this software (“Python”) in source or binary form and
its associated documentation.
2. Subject to the terms and conditions of this License Agreement, PSF
hereby grants Licensee a nonexclusive, royalty-free, world-wide
license to reproduce, analyze, test, perform and/or display publicly,
prepare derivative works, distribute, and otherwise use Python
alone or in any derivative version, provided, however, that PSF’s
License Agreement and PSF’s notice of copyright, i.e., “Copyright (c)
2001, 2002, 2003, 2004, 2005, 2006 Python Software Foundation; All Rights
Reserved” are retained in Python alone or in any derivative version
prepared by Licensee.
3. In the event Licensee prepares a derivative work that is based on
or incorporates Python or any part thereof, and wants to make
the derivative work available to others as provided herein, then
Licensee hereby agrees to include in any such work a brief summary of
the changes made to Python.
4. PSF is making Python available to Licensee on an “AS IS”
basis. PSF MAKES NO REPRESENTATIONS OR WARRANTIES, EXPRESS OR
IMPLIED. BY WAY OF EXAMPLE, BUT NOT LIMITATION, PSF MAKES NO AND
DISCLAIMS ANY REPRESENTATION OR WARRANTY OF MERCHANTABILITY OR FITNESS
FOR ANY PARTICULAR PURPOSE OR THAT THE USE OF PYTHON WILL NOT
INFRINGE ANY THIRD PARTY RIGHTS.
5. PSF SHALL NOT BE LIABLE TO LICENSEE OR ANY OTHER USERS OF PYTHON
FOR ANY INCIDENTAL, SPECIAL, OR CONSEQUENTIAL DAMAGES OR LOSS AS
A RESULT OF MODIFYING, DISTRIBUTING, OR OTHERWISE USING PYTHON,
OR ANY DERIVATIVE THEREOF, EVEN IF ADVISED OF THE POSSIBILITY THEREOF.
6. This License Agreement will automatically terminate upon a material
breach of its terms and conditions.
7. Nothing in this License Agreement shall be deemed to create any
relationship of agency, partnership, or joint venture between PSF and
Licensee. This License Agreement does not grant permission to use PSF
trademarks or trade name in a trademark sense to endorse or promote
products or services of Licensee, or any third party.
8. By copying, installing or otherwise using Python, Licensee
agrees to be bound by the terms and conditions of this License
Agreement.
-------------------------------------------------------------------------------
Proprietary License
-------------------------------------------------------------------------------
The following component is under a proprietary license:
- pyarmor (>=8.5.1,<9) | Copyright (C) 2009 - 2024 Jondy Zhao
This software is distributed as Free To Use But Restricted. For full license terms, please see: https://pyarmor.dashingsoft.com/license.html
-------------------------------------------------------------------------------
FCL-1.0-ALv2
-------------------------------------------------------------------------------
The following library is licensed under the FCL-1.0-ALv2 license:
- keygen-py (>=0.0.1.dev4,<0.0.2) | Copyright 2024 Keygen LLC
The full text of the FCL-1.0-ALv2 license can be found at: https://keygen.sh/license/
-------------------------------------------------------------------------------
LGPL 3.0 and GPL 3.0
-------------------------------------------------------------------------------
The following libraries are licensed under both LGPL 3.0 and GPL 3.0:
- crest (>=2) | Copyright (C) 2007 Free Software Foundation, Inc.
- xtb (>=6.6.1 6.5.1.,<7) | Copyright (C) 2007 Free Software Foundation, Inc.
This program is free software: you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.
This program 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 Lesser General Public License for more details.
You should have received a copy of the GNU Lesser General Public License along with this program. If not, see <https://www.gnu.org/licenses/>.
-------------------------------------------------------------------------------
BSD-3 License
-------------------------------------------------------------------------------
The following library is licensed under the BSD-3 License:
- pixi-pycharm (>=0.0.8,<0.0.9) | Copyright (c) 2023, prefix.dev GmbH
Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met:
1. Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer.
2. Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution.
3. Neither the name of the copyright holder nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission.
THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.