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AUTHORS, CHANGELOG, COC, LICENSEs, README
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‎AUTHORS.rst

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Authors
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=======
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Pavol Juhas,
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Chris Farrow,
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Simon J.L. Billinge
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Contributors
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------------
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For a list of contributors, visit
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https://github.com/diffpy/diffpy.srreal/graphs/contributors

‎AUTHORS.txt

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‎CHANGELOG.md

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‎CHANGELOG.rst

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=============
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Release Notes
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=============
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.. current developments
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Version 1.3.0 2019-03-13
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=========================
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Main differences from version 1.2.
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**Added:**
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* Support for Python 3.7, 3.6, 3.5 in addition to 2.7.
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* Validation of compiler options from `python-config`.
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* Make scons scripts compatible with Python 3 and Python 2.
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* `ConstantPeakWidth` attributes `uisowidth`, `bisowidth` to ease
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PDF simulation with uniform isotropic atom displacements.
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**Changed:**
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* Require libdiffpy 1.4 or later.
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* Build Anaconda package with Anaconda C++ compiler.
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* Allow language standard c++11.
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* Pickle format for `PDFCalculator`, `DebyePDFCalculator`,
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`OverlapCalculator`, `PeakWidthModel`, `PeakProfile`, `PDFEnvelope`,
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`PDFBaseline`, and `ScatteringFactorTable` objects.
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**Deprecated:**
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* Variable `__gitsha__` in the `version` module renamed to `__git_commit__`.
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* `libdiffpy_version_info` attribute `git_sha` renamed to `git_commit`.
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**Removed**
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* Unused method `BVParam.__hash__`.
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* Disable pickling of `BasePairQuantity` as it is in effect abstract.
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* Pickling of Python-added attributes to exported C++ classes.
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* Function `get_libdiffpy_version_info` from the `version` module.
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**Fixed**
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* Return value conversion of `CrystalStructureAdapter` methods
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`expandLatticeAtom` and `getEquivalentAtoms` methods.
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Make them return a `list` of `Atom` objects.
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* Name suffix resolution of `boost_python` shared library.

‎CODE_OF_CONDUCT.rst

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=====================================
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Contributor Covenant Code of Conduct
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=====================================
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Our Pledge
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----------
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We as members, contributors, and leaders pledge to make participation in our
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community a harassment-free experience for everyone, regardless of age, body
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size, visible or invisible disability, ethnicity, sex characteristics, gender
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identity and expression, level of experience, education, socio-economic status,
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nationality, personal appearance, race, caste, color, religion, or sexual
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identity and orientation.
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We pledge to act and interact in ways that contribute to an open, welcoming,
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diverse, inclusive, and healthy community.
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Our Standards
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-------------
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Examples of behavior that contributes to a positive environment for our
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community include:
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* Demonstrating empathy and kindness toward other people
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* Being respectful of differing opinions, viewpoints, and experiences
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* Giving and gracefully accepting constructive feedback
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* Accepting responsibility and apologizing to those affected by our mistakes,
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and learning from the experience
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* Focusing on what is best not just for us as individuals, but for the overall
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community
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Examples of unacceptable behavior include:
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* The use of sexualized language or imagery, and sexual attention or advances of
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any kind
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* Trolling, insulting or derogatory comments, and personal or political attacks
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* Public or private harassment
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* Publishing others' private information, such as a physical or email address,
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without their explicit permission
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* Other conduct which could reasonably be considered inappropriate in a
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professional setting
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Enforcement Responsibilities
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----------------------------
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Community leaders are responsible for clarifying and enforcing our standards of
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acceptable behavior and will take appropriate and fair corrective action in
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response to any behavior that they deem inappropriate, threatening, offensive,
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or harmful.
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Community leaders have the right and responsibility to remove, edit, or reject
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comments, commits, code, wiki edits, issues, and other contributions that are
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not aligned to this Code of Conduct, and will communicate reasons for moderation
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decisions when appropriate.
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Scope
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-----
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This Code of Conduct applies within all community spaces, and also applies when
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an individual is officially representing the community in public spaces.
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Examples of representing our community include using an official email address,
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posting via an official social media account, or acting as an appointed
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representative at an online or offline event.
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Enforcement
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-----------
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Instances of abusive, harassing, or otherwise unacceptable behavior may be
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reported to the community leaders responsible for enforcement at
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[email protected]. All complaints will be reviewed and investigated promptly and fairly.
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All community leaders are obligated to respect the privacy and security of the
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reporter of any incident.
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Enforcement Guidelines
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----------------------
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Community leaders will follow these Community Impact Guidelines in determining
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the consequences for any action they deem in violation of this Code of Conduct:
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1. Correction
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****************
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**Community Impact**: Use of inappropriate language or other behavior deemed
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unprofessional or unwelcome in the community.
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**Consequence**: A private, written warning from community leaders, providing
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clarity around the nature of the violation and an explanation of why the
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behavior was inappropriate. A public apology may be requested.
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2. Warning
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*************
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**Community Impact**: A violation through a single incident or series of
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actions.
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**Consequence**: A warning with consequences for continued behavior. No
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interaction with the people involved, including unsolicited interaction with
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those enforcing the Code of Conduct, for a specified period of time. This
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includes avoiding interactions in community spaces as well as external channels
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like social media. Violating these terms may lead to a temporary or permanent
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ban.
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3. Temporary Ban
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******************
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**Community Impact**: A serious violation of community standards, including
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sustained inappropriate behavior.
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**Consequence**: A temporary ban from any sort of interaction or public
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communication with the community for a specified period of time. No public or
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private interaction with the people involved, including unsolicited interaction
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with those enforcing the Code of Conduct, is allowed during this period.
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Violating these terms may lead to a permanent ban.
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4. Permanent Ban
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******************
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**Community Impact**: Demonstrating a pattern of violation of community
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standards, including sustained inappropriate behavior, harassment of an
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individual, or aggression toward or disparagement of classes of individuals.
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**Consequence**: A permanent ban from any sort of public interaction within the
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community.
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Attribution
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-----------
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This Code of Conduct is adapted from the `Contributor Covenant <https://www.contributor-covenant.org/version/2/1/code_of_conduct.html>`_.
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Community Impact Guidelines were inspired by `Mozilla's code of conduct enforcement ladder <https://github.com/mozilla/inclusion>`_.
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For answers to common questions about this code of conduct, see the `FAQ <https://www.contributor-covenant.org/faq>`_. `Translations are available <https://www.contributor-covenant.org/translations>`_

‎LICENSE.rst

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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 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 the City of New York
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Copyright (c) 2014-2019, Brookhaven Science Associates, Brookhaven National Laboratory
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Copyright (c) 2024, The Trustees of Columbia University in the City of New York.
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All rights reserved.
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The "DiffPy-CMI" is distributed subject to the following license conditions:
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.. code-block:: text
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SOFTWARE LICENSE AGREEMENT
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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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END OF LICENSE

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