Cookiecutting - add new files

.isort.cfg

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+[settings]
+line_length = 115
+multi_line_output = 3
+include_trailing_comma = True

AUTHORS.rst

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+Authors
+=======
+
+Billinge Group and community contibutors.
+
+----
+
+This code was derived from the first PDFFIT program by Thomas Proffen.
+The sources were converted to C++ by Jacques Bloch and then extensively hacked,
+extended and purged from most glaring bugs by Chris Farrow and Pavol Juhas.
+This code is currently maintained as part of the DiffPy project to create
+python modules for structure investigations from diffraction data.
+
+The DiffPy team is located in the Billinge-group at the Applied Physics
+and Applied Mathematics Department of the Columbia University in New York.
+Previous significant contributors to this code were
+
+    Pavol Juhas,  Chris Farrow, Jacques Bloch, Wenduo Zhou
+
+Please see the github contributions and the header of each source file 
+for a detailed list of
+contributors.  This is an open-source project and we hope and expect
+that the list of contributors will expand with time.  Many thanks to
+all current and future contributors!
+
+For more information on the DiffPy project email sb2896@columbia.edu
+
+DiffPy was initiated as part of the Distributed Data Analysis of Neutron
+Scattering Experiments (DANSE) project, funded by the National Science
+Foundation under grant DMR-0520547.  More information on DANSE can be
+found at http://danse.us.  Any opinions, findings, and conclusions or
+recommendations expressed in this material are those of the author(s)
+and do not necessarily reflect the views of the NSF.
+
+Acknowledgments
+---------------
+
+We are truly grateful to all the people who have contributed, in all
+different ways, to this project:  Thomas Proffen, Xiangyun Qiu, Pete
+Peterson and Jacques Bloch, previous Billinge-group members whose
+contributions to the codes are living well beyond their affiliation with
+the group; The hard working DANSE group at Caltech, University of
+Maryland, Iowa State and University of Tennessee, especially Brent Fultz
+for doggedly putting DANSE all together and Michael Aivazis, and the
+indomitable Mike McKerns for their design input and MM's gargantuan
+excel spreadsheets; The former members of the Billinge-group members,
+especially HyunJeong Kim and Ahmad Masadeh for enthusiastic testing and
+feature requests;  Last but not least, our long suffering family members,
+and the whole coffee and tea industries at large, without whom none of
+this would have been possible.
+
+
+Contributors
+------------
+
+For a list of contributors, visit
+https://github.com/diffpy/diffpy.pdffit2/graphs/contributors

CHANGELOG.rst

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+=============
+Release Notes
+=============
+
+No notable functional changes from 1.4.1
+
+--------------------------
+Version 1.4.2 – 2023-12-09
+--------------------------
+
+Added
+=====
+
+- Support for Python 3.11, 3.12
+
+Changed
+=======
+
+Deprecated
+==========
+
+Removed
+=======
+
+Fixed
+=====

CODE_OF_CONDUCT.rst

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+=====================================
+ Contributor Covenant Code of Conduct
+=====================================
+
+Our Pledge
+----------
+
+We as members, contributors, and leaders pledge to make participation in our
+community a harassment-free experience for everyone, regardless of age, body
+size, visible or invisible disability, ethnicity, sex characteristics, gender
+identity and expression, level of experience, education, socio-economic status,
+nationality, personal appearance, race, caste, color, religion, or sexual
+identity and orientation.
+
+We pledge to act and interact in ways that contribute to an open, welcoming,
+diverse, inclusive, and healthy community.
+
+Our Standards
+-------------
+
+Examples of behavior that contributes to a positive environment for our
+community include:
+
+* Demonstrating empathy and kindness toward other people
+* Being respectful of differing opinions, viewpoints, and experiences
+* Giving and gracefully accepting constructive feedback
+* Accepting responsibility and apologizing to those affected by our mistakes,
+  and learning from the experience
+* Focusing on what is best not just for us as individuals, but for the overall
+  community
+
+Examples of unacceptable behavior include:
+
+* The use of sexualized language or imagery, and sexual attention or advances of
+  any kind
+* Trolling, insulting or derogatory comments, and personal or political attacks
+* Public or private harassment
+* Publishing others' private information, such as a physical or email address,
+  without their explicit permission
+* Other conduct which could reasonably be considered inappropriate in a
+  professional setting
+
+Enforcement Responsibilities
+----------------------------
+
+Community leaders are responsible for clarifying and enforcing our standards of
+acceptable behavior and will take appropriate and fair corrective action in
+response to any behavior that they deem inappropriate, threatening, offensive,
+or harmful.
+
+Community leaders have the right and responsibility to remove, edit, or reject
+comments, commits, code, wiki edits, issues, and other contributions that are
+not aligned to this Code of Conduct, and will communicate reasons for moderation
+decisions when appropriate.
+
+Scope
+-----
+
+This Code of Conduct applies within all community spaces, and also applies when
+an individual is officially representing the community in public spaces.
+Examples of representing our community include using an official email address,
+posting via an official social media account, or acting as an appointed
+representative at an online or offline event.
+
+Enforcement
+-----------
+
+Instances of abusive, harassing, or otherwise unacceptable behavior may be
+reported to the community leaders responsible for enforcement at
+sb2896@columbia.edu. All complaints will be reviewed and investigated promptly and fairly.
+
+All community leaders are obligated to respect the privacy and security of the
+reporter of any incident.
+
+Enforcement Guidelines
+----------------------
+
+Community leaders will follow these Community Impact Guidelines in determining
+the consequences for any action they deem in violation of this Code of Conduct:
+
+1. Correction
+****************
+
+**Community Impact**: Use of inappropriate language or other behavior deemed
+unprofessional or unwelcome in the community.
+
+**Consequence**: A private, written warning from community leaders, providing
+clarity around the nature of the violation and an explanation of why the
+behavior was inappropriate. A public apology may be requested.
+
+2. Warning
+*************
+
+**Community Impact**: A violation through a single incident or series of
+actions.
+
+**Consequence**: A warning with consequences for continued behavior. No
+interaction with the people involved, including unsolicited interaction with
+those enforcing the Code of Conduct, for a specified period of time. This
+includes avoiding interactions in community spaces as well as external channels
+like social media. Violating these terms may lead to a temporary or permanent
+ban.
+
+3. Temporary Ban
+******************
+
+**Community Impact**: A serious violation of community standards, including
+sustained inappropriate behavior.
+
+**Consequence**: A temporary ban from any sort of interaction or public
+communication with the community for a specified period of time. No public or
+private interaction with the people involved, including unsolicited interaction
+with those enforcing the Code of Conduct, is allowed during this period.
+Violating these terms may lead to a permanent ban.
+
+4. Permanent Ban
+******************
+
+**Community Impact**: Demonstrating a pattern of violation of community
+standards, including sustained inappropriate behavior, harassment of an
+individual, or aggression toward or disparagement of classes of individuals.
+
+**Consequence**: A permanent ban from any sort of public interaction within the
+community.
+
+Attribution
+-----------
+
+This Code of Conduct is adapted from the `Contributor Covenant <https://www.contributor-covenant.org/version/2/1/code_of_conduct.html>`_.
+
+Community Impact Guidelines were inspired by `Mozilla's code of conduct enforcement ladder <https://github.com/mozilla/inclusion>`_.
+
+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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+This program is part of the DiffPy and DANSE open-source projects
+and is available subject to the conditions and terms laid out below.
+
+If you use this program to do productive scientific research that leads
+to publication, we ask that you acknowledge use of the program by citing
+the following paper in your publication:
+
+    C. L. Farrow, P. Juhas, J. W. Liu, D. Bryndin, E. S. Bozin,
+    J. Bloch, Th. Proffen and S. J. L. Billinge, PDFfit2 and
+    PDFgui: computer programs for studying nanostructure in
+    crystals, J. Phys.: Condens.  Matter 19, 335219 (2007)
+
+Copyright 2006-2007, Board of Trustees of Michigan State University,
+Copyright 2008-2024, Board of Trustees of Columbia University in the
+city of New York.  (Copyright holder indicated in each source file).
+
+For more information please visit the project web-page:
+    http://www.diffpy.org/
+or email Prof. Simon Billinge at sb2896@columbia.edu
+
+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 the copyright holder nor the names of its
+    contributors may be used to endorse or promote products derived from
+    this software without specific prior written permission.
+
+THIS SOFTWARE IS PROVIDED BY COPYRIGHT HOLDER "AS IS".  COPYRIGHT HOLDER
+EXPRESSLY DISCLAIMS ANY AND ALL WARRANTIES AND CONDITIONS, EITHER
+EXPRESS OR IMPLIED, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
+WARRANTIES OF MERCHANTABILITY, TITLE, FITNESS, ADEQUACY OR SUITABILITY
+FOR A PARTICULAR PURPOSE, AND ANY WARRANTIES OF FREEDOM FROM
+INFRINGEMENT OF ANY DOMESTIC OR FOREIGN PATENT, COPYRIGHTS, TRADE
+SECRETS OR OTHER PROPRIETARY RIGHTS OF ANY PARTY.  IN NO EVENT SHALL
+COPYRIGHT HOLDER BE LIABLE TO ANY PARTY 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 OR RELATING TO THIS AGREEMENT, EVEN IF ADVISED OF THE
+POSSIBILITY OF SUCH DAMAGE.

news/TEMPLATE.rst

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+**Added:**
+
+* <news item>
+
+**Changed:**
+
+* <news item>
+
+**Deprecated:**
+
+* <news item>
+
+**Removed:**
+
+* <news item>
+
+**Fixed:**
+
+* <news item>
+
+**Security:**
+
+* <news item>