COPYING

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============================================

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1. Trajectory file reading using VMD plugins
2. Internal FFT (fftpack)
3. thread_mpi
4. Blas
5. Lapack
6. Parts of Boost C++ library
7. Google Test and Google Mock
8. Sun XDR implementation (External Data Representation)
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15. P0009 reference implementation (Sandia Corporation)
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17. muparser
18. VkFFT

============================================

1. Trajectory file reading using VMD plugins
============================================

   Files: src/external/vmd_molfile/
          src/gromacs/fileio/vmdio.c

                (C) Copyright 1995-2009 The Board of Trustees of the
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2. Internal FFT (ffpack)
========================

   Files: src/external/fftpack/fftpack.c

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Redistribution and use in source and binary forms, with or without
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fftpack.c : A set of FFT routines in C.
Algorithmically based on Fortran-77 FFTPACK by Paul N. Swarztrauber (Version 4, 1985).

3. thread_mpi
=============

   Files: src/external/thread_mpi/

Copyright (c) 2009-2012, Sander Pronk & Erik Lindahl.
All rights reserved.

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4. Blas
=======

These files are semi-automatic translations by f2c from the original netlib BLAS library.
The source has been modified to (mostly) use modern C formatting, and to get rid of
compiler warnings. Any errors in doing this should be blamed on the GROMACS developers, and
not the reference BLAS implementation.

The reference BLAS implementation is available from http://www.netlib.org/blas

BLAS does not come with a formal named "license", but a general statement that

"The reference BLAS is a freely-available software package. It is available from netlib
via anonymous ftp and the World Wide Web. Thus, it can be included in commercial software
packages (and has been). We only ask that proper credit be given to the authors."

While the rest of GROMACS is LGPL, we think it's only fair to give you the same rights to
our modified BLAS files as the original netlib versions, so do what you want with them.
However, be warned that we have only tested that they do the right thing in the cases used
in GROMACS (primarily full & sparse matrix diagonalization), so in most cases it is a much
better idea to use the full reference implementation.

Erik Lindahl, 2008-10-07.

5. Lapack
=========

These files are semi-automatic translations by f2c from the original netlib LAPACK library.
The source has been modified to (mostly) use modern C formatting, and to get rid of
compiler warnings. Any errors in doing this should be blamed on the GROMACS developers, and
not the reference LAPACK implementation.

The reference LAPACK implementation is available from http://www.netlib.org/lapack

LAPACK does not come with a formal named "license", but a general statement saying:

"The reference LAPACK is a freely-available software package. It is available from netlib
via anonymous ftp and the World Wide Web. Thus, it can be included in commercial software
packages (and has been). We only ask that proper credit be given to the authors."

While the rest of GROMACS is LGPL, we think it's only fair to give you the same rights to
our modified LAPACK files as the original netlib versions, so do what you want with them.

However, be warned that we have only tested that they do the right thing in the cases used
in GROMACS (primarily full & sparse matrix diagonalization), so in most cases it is a much
better idea to use the full reference implementation.

Erik Lindahl, 2008-10-07.

6. Parts of Boost C++ library
=============================

   Files: src/gromacs/utility/current_function.h
          src/gromacs/utility/path.cpp

Boost Software License - Version 1.0 - August 17th, 2003

Permission is hereby granted, free of charge, to any person or organization
obtaining a copy of the software and accompanying documentation covered by
this license (the "Software") to use, reproduce, display, distribute,
execute, and transmit the Software, and to prepare derivative works of the
Software, and to permit third-parties to whom the Software is furnished to
do so, all subject to the following:

The copyright notices in the Software and this entire statement, including
the above license grant, this restriction and the following disclaimer,
must be included in all copies of the Software, in whole or in part, and
all derivative works of the Software, unless such copies or derivative
works are solely in the form of machine-executable object code generated by
a source language processor.

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, TITLE AND NON-INFRINGEMENT. IN NO EVENT
SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE
FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE,
ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER
DEALINGS IN THE SOFTWARE.

7. Google Test and Google Mock
===============================

   Files: src/external/googletest/*

Copyright 2008, Google Inc.
All rights reserved.

Redistribution and use in source and binary forms, with or without
modification, are permitted provided that the following conditions are
met:

    * Redistributions of source code must retain the above copyright
notice, this list of conditions and the following disclaimer.
    * 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.
    * Neither the name of Google Inc. 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.


8. Sun Extensible Data Representation routines (XDR)
=====================================================

    Files: src/gromacs/fileio/gmx_system_xdr.c

Sun RPC is a product of Sun Microsystems, Inc. and is provided for
unrestricted use provided that this legend is included on all tape
media and as a part of the software program in whole or part.  Users
may copy or modify Sun RPC without charge, but are not authorized
to license or distribute it to anyone else except as part of a product or
program developed by the user.

SUN RPC IS PROVIDED AS IS WITH NO WARRANTIES OF ANY KIND INCLUDING THE
WARRANTIES OF DESIGN, MERCHANTIBILITY AND FITNESS FOR A PARTICULAR
PURPOSE, OR ARISING FROM A COURSE OF DEALING, USAGE OR TRADE PRACTICE.

Sun RPC is provided with no support and without any obligation on the
part of Sun Microsystems, Inc. to assist in its use, correction,
modification or enhancement.

SUN MICROSYSTEMS, INC. SHALL HAVE NO LIABILITY WITH RESPECT TO THE
INFRINGEMENT OF COPYRIGHTS, TRADE SECRETS OR ANY PATENTS BY SUN RPC
OR ANY PART THEREOF.

In no event will Sun Microsystems, Inc. be liable for any lost revenue
or profits or other special, indirect and consequential damages, even if
Sun has been advised of the possibility of such damages.

Sun Microsystems, Inc.
2550 Garcia Avenue
Mountain View, California  94043


9. Sun FDLIBM (Freely Distributable Maths Library)
===================================================

    Files: src/gromacs/math/utilities.c

Copyright (C) 1993 by Sun Microsystems, Inc. All rights reserved.

Developed at SunSoft, a Sun Microsystems, Inc. business.
Permission to use, copy, modify, and distribute this
software is freely granted, provided that this notice
is preserved.


10. ThreeFry Random Engine
============================================

Based on proposed Boost implementations by
a) John Salmon, Copyright 2010-2014 by D. E. Shaw Research
b) Thijs van den Berg, Copyright (c) 2014 M.A. (Thijs) van den Berg

Boost Software License - Version 1.0 - August 17th, 2003

Permission is hereby granted, free of charge, to any person or organization
obtaining a copy of the software and accompanying documentation covered by
this license (the "Software") to use, reproduce, display, distribute,
execute, and transmit the Software, and to prepare derivative works of the
Software, and to permit third-parties to whom the Software is furnished to
do so, all subject to the following:

The copyright notices in the Software and this entire statement, including
the above license grant, this restriction and the following disclaimer,
must be included in all copies of the Software, in whole or in part, and
all derivative works of the Software, unless such copies or derivative
works are solely in the form of machine-executable object code generated by
a source language processor.

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, TITLE AND NON-INFRINGEMENT. IN NO EVENT
SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE
FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE,
ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER
DEALINGS IN THE SOFTWARE.


11. md5
============================================

Copyright (C) 1999, 2002 Aladdin Enterprises.  All rights reserved.

This software is provided 'as-is', without any express or implied
warranty.  In no event will the authors be held liable for any damages
arising from the use of this software.

Permission is granted to anyone to use this software for any purpose,
including commercial applications, and to alter it and redistribute it
freely, subject to the following restrictions:

1. The origin of this software must not be misrepresented; you must not
  claim that you wrote the original software. If you use this software
  in a product, an acknowledgment in the product documentation would be
  appreciated but is not required.
2. Altered source versions must be plainly marked as such, and must not be
  misrepresented as being the original software.
3. This notice may not be removed or altered from any source distribution.

L. Peter Deutsch
ghost@aladdin.com

12. lmfit
============================================
The package lmfit is distributed under the FreeBSD License:

--
  Copyright (c) 1980-1999 University of Chicago,
                          as operator of Argonne National Laboratory
  Copyright (c) 2004-2015 Joachim Wuttke, Forschungszentrum Juelich GmbH

  All rights reserved.

  Redistribution and use in source and binary forms, with or without
  modification, are permitted provided that the following conditions are met:

  - Redistributions of source code must retain the above copyright notice,
    this list of conditions and the following disclaimer.
  - 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.

  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.
--

13. clFFT
============================================

   Files: src/external/clFFT/*

The source for clFFT is licensed under the Apache License, Version 2.0

--
AMD clFFT
    Copyright 2013 Advanced Micro Devices, Inc.

    This product includes software developed at
    Advanced Micro Devices, Inc. (http://www.amd.com).
--

14. Guidelines Support Library
============================================

   Files: src/gromacs/compat/pointers.h

The source for the Guidelines Support Library (GSL) is licensed under
the MIT license.

--
Copyright (c) 2015 Microsoft Corporation. All rights reserved.

This code is licensed under the MIT License (MIT).

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.
--

15. P0009 reference implementation (Sandia Corporation)
=======================================================

   Files: src/gromacs/mdspan/*

                         Kokkos v. 2.0
              Copyright (2014) Sandia Corporation

Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
the U.S. Government retains certain rights in this software.

Kokkos is licensed under 3-clause BSD terms of use:

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 Corporation nor the names of the
contributors may be used to endorse or promote products derived from
this software without specific prior written permission.

THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "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 SANDIA CORPORATION OR THE
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.

Questions? Contact Christian R. Trott (crtrott@sandia.gov)

16. stl_interfaces
==================

Used with minor modification from commit 486db0a5543cea2901ed of
https://github.com/boostorg/stl_interfaces, which is licensed as below.

Boost Software License - Version 1.0 - August 17th, 2003

Permission is hereby granted, free of charge, to any person or organization
obtaining a copy of the software and accompanying documentation covered by
this license (the "Software") to use, reproduce, display, distribute,
execute, and transmit the Software, and to prepare derivative works of the
Software, and to permit third-parties to whom the Software is furnished to
do so, all subject to the following:

The copyright notices in the Software and this entire statement, including
the above license grant, this restriction and the following disclaimer,
must be included in all copies of the Software, in whole or in part, and
all derivative works of the Software, unless such copies or derivative
works are solely in the form of machine-executable object code generated by
a source language processor.

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, TITLE AND NON-INFRINGEMENT. IN NO EVENT
SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE
FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE,
ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER
DEALINGS IN THE SOFTWARE.

17. muparser
============

Used version 2.3.2 from https://github.com/beltoforion/muparser/releases/tag/v2.3.2,
which is licensed as below.

/*

	 _____  __ _____________ _______  ______ ___________
	/     \|  |  \____ \__  \\_  __ \/  ___// __ \_  __ \
   |  Y Y  \  |  /  |_> > __ \|  | \/\___ \\  ___/|  | \/
   |__|_|  /____/|   __(____  /__|  /____  >\___  >__|
		 \/      |__|       \/           \/     \/
   Copyright (C) 2004 - 2020 Ingo Berg

	Redistribution and use in source and binary forms, with or without modification, are permitted
	provided that the following conditions are met:

	  * Redistributions of source code must retain the above copyright notice, this list of
		conditions and the following disclaimer.
	  * 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.

	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.
*/

18. VkFFT
=========

Used commit b15cb0ca3e884bdb6c901a12d87aa8aadf7637d8 from https://github.com/DTolm/VkFFT
Which is licensed as below

Copyright (C) 2020 - present Dmitrii Tolmachev <dtolm96@gmail.com>

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.