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cadenmyers13 committed Nov 11, 2025
commit a973527fc39f22772d9d31c26dfda7ab883d83fe
7 changes: 0 additions & 7 deletions docs/source/available-packs.rst
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Expand Up @@ -53,10 +53,3 @@ tests
- ``pytest-mock``
- ``freezegun``
- ``DeepDiff``


=====
thing
=====
- ``numpy``
- ``matplotlib``
9 changes: 0 additions & 9 deletions docs/source/available-profiles.rst
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Expand Up @@ -20,12 +20,3 @@ all
packs: ``core``, ``pdf``, ``plotting``

extras: ``ipykernel``


====
blah
====

packs: ``thing``

extras: ``ipykernel``
2 changes: 1 addition & 1 deletion docs/source/index.rst
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Expand Up @@ -113,7 +113,7 @@ Table of contents
:maxdepth: 1
:caption: EXAMPLES & MORE

tutorials/index
Examples <tutorials/index>

.. toctree::
:maxdepth: 1
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14 changes: 5 additions & 9 deletions docs/source/overview.rst
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Expand Up @@ -32,7 +32,7 @@ While its most commonly used functionality is in atomic pair distribution functi
:width: 500px
:align: center

To make ``diffpy.cmi`` easy to use and extend, we organize functionality into **Packs** and **Profiles**, allowing users to contribute their own modules and workflows seamlessly.
To make ``diffpy.cmi`` easy to use, we organize functionality into **Packs** and **Profiles**, allowing users to contribute their own modules and workflows seamlessly.

.. _whats-a-pack:

Expand All @@ -47,19 +47,17 @@ For example, the ``pdf`` pack is designed to handle pair distribution function (
``diffpy.srreal`` and ``pyobjcryst``.


===========
Why Packs?
===========
-----------

``diffpy.cmi`` is designed to be a centeralized place for all regression tasks. If a user wants to use ``diffpy.cmi`` for one specific regression task
and not another, they can do so without having to install unnecessary packages. This design limits version conflicts between packages
that may arise if all packages were bundled together.

Overall, having a modular way to add new functionality is essential in keeping the codebase maintainable and user-friendly!

=========================
How to contribute a Pack
=========================
-------------------------

Have you built a new workflow you'd like to implement into ``diffpy.cmi``?
We would love to **highlight your extension or application!**
Expand Down Expand Up @@ -89,16 +87,14 @@ adapted to their specific needs. Profiles are designed to be simpler than packs,

For example, the profile ``all`` contains the ``plotting`` and ``pdf`` packs. Additionally, it contains the package ``ipykernel`` to enable Jupyter Notebook support.

===================
Why Profiles?
===================
-------------------

Profiles are useful because they allow users to quickly set up and run modeling workflows without needing to configure each component individually.
Running a simple command ``cmi install <profile_name>`` will install all necessary packs and dependencies for that profile.

============================
How to contribute a Profile
============================
---------------------------

Have you built a new modeling workflow that you'd like to share with the community?
We would love to **highlight your extension or application!**
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2 changes: 2 additions & 0 deletions docs/source/tutorials/core.rst
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Expand Up @@ -2,6 +2,8 @@
core
====

To copy an example to your current working directory, use the command ``cmi copy <example-name>``.

Available Examples
------------------
- linefit
2 changes: 1 addition & 1 deletion docs/source/tutorials/index.rst
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@@ -1,5 +1,5 @@
======================
Tutorials
Examples by pack
======================

.. toctree::
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4 changes: 3 additions & 1 deletion docs/source/tutorials/pdf.rst
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Expand Up @@ -2,6 +2,8 @@
pdf
===

To copy an example to your current working directory, use the command ``cmi copy <example-name>``.

Available Examples
------------------
- ch03NiModelling
Expand All @@ -12,7 +14,7 @@ Available Examples
- ch11ClusterXYZ

Ni PDF Fitting Tutorial
^^^^^^^^^^^^^^^^^^^^^^^
-----------------------

The atomic pair distribution function (PDF) provides a powerful route to understanding the local atomic structure of materials in real space.
Despite its utility, PDF fitting and analysis can be challenging.
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