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.buildinfo

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# Sphinx build info version 1
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# This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
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config: 783ab6d8b4fca7cbf25ff3c526cd129c
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config: 93cbce30c98ccf15c384eb80631abd7e
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tags: 645f666f9bcd5a90fca523b33c5a78b7

_sources/api/diffpy.rst.txt

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_sources/api/diffpy.srreal.rst.txt

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:tocdepth: 2
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.. default-role:: py:obj
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diffpy.srreal package
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=====================
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.. automodule:: diffpy.srreal
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:members:
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:undoc-members:
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:show-inheritance:
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Submodules
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----------
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:undoc-members:
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diffpy.srreal.structureconverters module
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----------------------------------------
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.. automodule:: diffpy.srreal.structureconverters
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:members:
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:undoc-members:
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:show-inheritance:
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.. skip internal module diffpy.srreal.structureconverters
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diffpy.srreal.version module
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----------------------------
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diffpy.srreal.wraputils module
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------------------------------
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.. automodule:: diffpy.srreal.wraputils
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:members:
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:undoc-members:
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:show-inheritance:
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Module contents
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---------------
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.. automodule:: diffpy.srreal
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:members:
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:undoc-members:
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:show-inheritance:
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.. skip internal module diffpy.srreal.wraputils

_sources/api/modules.rst.txt

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_sources/index.rst.txt

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.. SrReal documentation master file, created by
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sphinx-quickstart on Tue Oct 22 12:02:48 2013.
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You can adapt this file completely to your liking, but it should at least
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contain the root `toctree` directive.
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####################################################
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diffpy.srreal documentation
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####################################################
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Software version |release|.
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Last updated |today|.
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diffpy.srreal - calculators for PDF, bond valence sum and other pair quantities
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diffpy.srreal - calculators for PDF, bond valence sum and other pair quantities.
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| Software version |release|.
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| Last updated |today|.
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The diffpy.srreal package provides calculators for atomic pair distribution
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function (PDF), bond valence sums (BVS), atom overlaps for a hard-sphere
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can be also defined for any quantity that is obtained by iteration over atom
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pairs, by defining only the function that processes atom-pair contributions.
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===================
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Disclaimer
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===================
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.. literalinclude:: ../../../LICENSE.txt
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================
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Acknowledgments
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================
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Developers
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-----------
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diffpy.srreal is developed and maintained by
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========================================
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Authors
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========================================
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.. literalinclude:: ../../../AUTHORS.txt
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diffpy.srreal is developed by members of the Billinge Group at
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Columbia University and at Brookhaven National Laboratory including
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Pavol Juhás, Christopher L. Farrow, Simon J.L. Billinge.
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For a detailed list of contributors see
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https://github.com/diffpy/diffpy.srreal/graphs/contributors.
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======================================
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Installation
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======================================
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See the `README.rst <https://github.com/diffpy/diffpy.srreal#requirements>`_
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See the `README <https://github.com/diffpy/diffpy.srreal#requirements>`_
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file included with the distribution.
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======================================
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API and Index
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Table of contents
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======================================
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.. toctree::
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:maxdepth: 2
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api/diffpy.srreal.rst
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:titlesonly:
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license
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release
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Package API <api/diffpy.srreal>
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======================================
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Indices
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======================================
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* :ref:`genindex`
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* :ref:`modindex`
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* :ref:`search`

_sources/license.rst.txt

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.. index:: license
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License
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#######
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OPEN SOURCE LICENSE AGREEMENT
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=============================
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| Copyright (c) 2009-2011, University of Tennessee
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| Copyright (c) 1989, 1991 Free Software Foundation, Inc.
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| Copyright (c) 2006, The Regents of the University of California through
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Lawrence Berkeley National Laboratory
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| Copyright (c) 2014, Australian Synchrotron Research Program Inc., ("ASRP")
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| Copyright (c) 2006-2007, Board of Trustees of Michigan State University
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| Copyright (c) 2008-2012, The Trustees of Columbia University in
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the City of New York
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| Copyright (c) 2014-2019, Brookhaven Science Associates,
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Brookhaven National Laboratory
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The "DiffPy-CMI" is distributed subject to the following license conditions:
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SOFTWARE LICENSE AGREEMENT
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==========================
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Software: **DiffPy-CMI**
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(1) The "Software", below, refers to the aforementioned DiffPy-CMI (in either
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source code, or binary form and accompanying documentation).
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Part of the software was derived from the DANSE, ObjCryst++ (with permission),
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PyCifRW, Python periodictable, CCTBX, and SasView open source projects, of
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which the original Copyrights are contained in each individual file.
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Each licensee is addressed as "you" or "Licensee."
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(2) The copyright holders shown above and their third-party Licensors hereby
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grant licensee a royalty-free nonexclusive license, subject to the limitations
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stated herein and U.S. Government license rights.
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(3) You may modify and make a copy or copies of the software for use within
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your organization, if you meet the following conditions:
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(a) Copies in source code must include the copyright notice and this
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software license agreement.
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(b) Copies in binary form must include the copyright notice and this
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Software License Agreement in the documentation and/or other materials
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provided with the copy.
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(4) You may modify a copy or copies of the Software or any portion of it, thus
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forming a work based on the Software, and distribute copies of such work
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outside your organization, if you meet all of the following conditions:
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(a) Copies in source code must include the copyright notice and this
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Software License Agreement;
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(b) Copies in binary form must include the copyright notice and this
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Software License Agreement in the documentation and/or other materials
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provided with the copy;
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(c) Modified copies and works based on the Software must carry prominent
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notices stating that you changed specified portions of the Software.
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(d) Neither the name of Brookhaven Science Associates or Brookhaven
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National Laboratory nor the names of its contributors may be used to
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endorse or promote products derived from this software without specific
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written permission.
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(5) Portions of the Software resulted from work developed under a U.S.
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Government contract and are subject to the following license:
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The Government is granted for itself and others acting on its behalf a
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paid-up, nonexclusive, irrevocable worldwide license in this computer software
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to reproduce, prepare derivative works, and perform publicly and display
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publicly.
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(6) WARRANTY DISCLAIMER. THE SOFTWARE IS SUPPLIED "AS IS" WITHOUT
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WARRANTY OF ANY KIND. THE COPYRIGHT HOLDERS, THEIR THIRD PARTY
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LICENSORS, THE UNITED STATES, THE UNITED STATES DEPARTMENT OF ENERGY, AND
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THEIR EMPLOYEES: (1) DISCLAIM ANY WARRANTIES, EXPRESS OR IMPLIED, INCLUDING
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BUT NOT LIMITED TO ANY IMPLIED WARRANTIES OF MERCHANTABILITY, FITNESS FOR A
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PARTICULAR PURPOSE, TITLE OR NON-INFRINGEMENT, (2) DO NOT ASSUME ANY LEGAL
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LIABILITY OR RESPONSIBILITY FOR THE ACCURACY, COMPLETENESS, OR USEFULNESS OF
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THE SOFTWARE, (3) DO NOT REPRESENT THAT USE OF THE SOFTWARE WOULD NOT INFRINGE
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PRIVATELY OWNED RIGHTS, (4) DO NOT WARRANT THAT THE SOFTWARE WILL FUNCTION
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UNINTERRUPTED, THAT IT IS ERROR-FREE OR THAT ANY ERRORS WILL BE CORRECTED.
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(7) LIMITATION OF LIABILITY. IN NO EVENT WILL THE COPYRIGHT HOLDERS, THEIR
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THIRD PARTY LICENSORS, THE UNITED STATES, THE UNITED STATES DEPARTMENT OF
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ENERGY, OR THEIR EMPLOYEES: BE LIABLE FOR ANY INDIRECT, INCIDENTAL,
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CONSEQUENTIAL, SPECIAL OR PUNITIVE DAMAGES OF ANY KIND OR NATURE, INCLUDING
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BUT NOT LIMITED TO LOSS OF PROFITS OR LOSS OF DATA, FOR ANY REASON WHATSOEVER,
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WHETHER SUCH LIABILITY IS ASSERTED ON THE BASIS OF CONTRACT, TORT (INCLUDING
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NEGLIGENCE OR STRICT LIABILITY), OR OTHERWISE, EVEN IF ANY OF SAID PARTIES HAS
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BEEN WARNED OF THE POSSIBILITY OF SUCH LOSS OR DAMAGES.
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Brookhaven National Laboratory Notice
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=====================================
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Acknowledgment of sponsorship
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-----------------------------
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This software was produced by the Brookhaven National Laboratory, under
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Contract DE-AC02-98CH10886 with the Department of Energy.
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Government disclaimer of liability
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----------------------------------
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Neither the United States nor the United States Department of Energy, nor
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any of their employees, makes any warranty, express or implied, or assumes
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any legal liability or responsibility for the accuracy, completeness, or
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usefulness of any data, apparatus, product, or process disclosed, or
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represents that its use would not infringe privately owned rights.
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Brookhaven disclaimer of liability
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----------------------------------
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Brookhaven National Laboratory makes no representations or warranties,
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express or implied, nor assumes any liability for the use of this software.
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Maintenance of notice
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---------------------
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In the interest of clarity regarding the origin and status of this
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software, Brookhaven National Laboratory requests that any recipient of it
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maintain this notice affixed to any distribution by the recipient that
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contains a copy or derivative of this software.
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.. rubric:: END OF LICENSE

_sources/release.rst.txt

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.. index:: release notes
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.. mdinclude:: ../../../CHANGELOG.md

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