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* edit AUTHORS.rst, CHANGELOG.rst, and CODE_OF_CONDUCT.rst * copyright for Michigan State University updated * update the license.rst and pyproject.toml
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‎diffpy.srmise/AUTHORS.rst

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Authors
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=======
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Luke Granlund
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Billinge Group and community contibutors.
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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.srmise/graphs/contributors

‎diffpy.srmise/CHANGELOG.rst

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=============
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Release Notes
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=============
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.. current developments

‎diffpy.srmise/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>`_

‎diffpy.srmise/LICENSE.rst

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BSD 3-Clause License
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Copyright (c) 2014-2015, Board of Trustees of Michigan State University
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2016-2024, The Trustees of Columbia University in the City of New York.
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All rights reserved.
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Redistribution and use in source and binary forms, with or without
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modification, are permitted provided that the following conditions are met:
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1. Redistributions of source code must retain the above copyright notice, this
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list of conditions and the following disclaimer.
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2. Redistributions in binary form must reproduce the above copyright notice,
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this list of conditions and the following disclaimer in the documentation
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and/or other materials provided with the distribution.
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3. Neither the name of the copyright holder nor the names of its contributors
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may be used to endorse or promote products derived from this software
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without specific prior written permission.
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If you use this program to do productive scientific research that
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leads to publication, we ask that you acknowledge use of the
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program by citing the following paper in your publication:
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L. Granlund, S.J.L. Billinge, P.M. Duxbury, Algorithm for
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systematic peak extraction from atomic pair distribution
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functions, Acta Crystallographica A 71(4), 392-409 (2015).
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doi:10.1107/S2053273315005276
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For more information please visit the diffpy web-page at
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http://www.diffpy.org
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or email Luke Granlund at [email protected], or Prof. Simon
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Billinge at [email protected].
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THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
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AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
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IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
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DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE
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FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL
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DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR
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SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER
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CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY,
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OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
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OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.

‎diffpy.srmise/doc/source/license.rst

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:tocdepth: -1
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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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BSD 3-Clause License
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Copyright (c)
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Copyright (c) 2014-2015, Board of Trustees of Michigan State University
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2016-2024, The Trustees of Columbia University in the City of New York.
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All Rights Reserved.
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Redistribution and use in source and binary forms, with or without
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modification, are permitted provided that the following conditions are met:
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1. Redistributions of source code must retain the above copyright notice, this
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list of conditions and the following disclaimer.
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2. Redistributions in binary form must reproduce the above copyright notice,
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this list of conditions and the following disclaimer in the documentation
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and/or other materials provided with the distribution.
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3. Neither the name of the copyright holder nor the names of its
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contributors may be used to endorse or promote products derived from
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this software without specific prior written permission.
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If you use this program to do productive scientific research that
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leads to publication, we ask that you acknowledge use of the
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program by citing the following paper in your publication:
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L. Granlund, S.J.L. Billinge, P.M. Duxbury, Algorithm for
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systematic peak extraction from atomic pair distribution
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functions, Acta Crystallographica A 71(4), 392-409 (2015).
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doi:10.1107/S2053273315005276
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For more information please visit the diffpy web-page at
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http://www.diffpy.org
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or email Luke Granlund at [email protected], or Prof. Simon
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Billinge at [email protected].
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THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
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AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
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IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
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DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE
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FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL
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DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR
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SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER
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CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY,
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OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
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OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.

‎diffpy.srmise/pyproject.toml

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[build-system]
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requires = ["setuptools>=62.0", "setuptools-git-versioning<2"]
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build-backend = "setuptools.build_meta"
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[project]
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name = "diffpy.srmise"
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dynamic=['version']
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authors = [
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{ name="Simon J.L. Billinge group", email="[email protected]" },
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{name="Luke Granlund", email="[email protected]"}
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]
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maintainers = [
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{ name="Simon J.L. Billinge group", email="[email protected]" },
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]
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description = "Peak extraction/fitting tool for pair distribution functions"
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keywords = ['peak extraction fitting PDF AIC multimodeling']
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readme = "README.rst"
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requires-python = ">=3.10"
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classifiers = [
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# List of possible values at
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# http://pypi.python.org/pypi?:action=list_classifiers
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'Development Status :: 3 - Alpha',
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'Environment :: Console',
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'Intended Audience :: Developers',
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'Intended Audience :: Education',
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'Intended Audience :: Science/Research',
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'License :: OSI Approved :: BSD License',
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'Operating System :: MacOS :: MacOS X',
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'Operating System :: Microsoft :: Windows',
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'Operating System :: POSIX',
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'Operating System :: Unix',
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'Programming Language :: Python :: 3.10',
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'Programming Language :: Python :: 3.11',
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'Programming Language :: Python :: 3.12',
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'Topic :: Scientific/Engineering :: Physics',
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'Topic :: Scientific/Engineering :: Chemistry',
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'Topic :: Software Development :: Libraries',
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]
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[project.urls]
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Homepage = "https://github.com/diffpy/diffpy.srmise/"
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Issues = "https://github.com/diffpy/diffpy.srmise/issues/"
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[tool.setuptools-git-versioning]
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enabled = true
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template = "{tag}"
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dev_template = "{tag}"
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dirty_template = "{tag}"
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[tool.setuptools.packages.find]
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where = ["src"] # list of folders that contain the packages (["."] by default)
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include = ["*"] # package names should match these glob patterns (["*"] by default)
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exclude = ["diffpy.srmise.tests*"] # exclude packages matching these glob patterns (empty by default)
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namespaces = false # to disable scanning PEP 420 namespaces (true by default)
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[tool.black]
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line-length = 115
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include = '\.pyi?$'
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exclude = '''
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/(
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\.git
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| \.hg
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| \.mypy_cache
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| \.tox
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| \.venv
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| \.rst
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| \.txt
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| _build
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| buck-out
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| build
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| dist
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# The following are specific to Black, you probably don't want those.
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| blib2to3
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| tests/data
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)/
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'''

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