Diporder Structure Factor and CLI (#2)

* moved diporderstructurefactor and rdfdiporder

* copied the maicos how-to for dipole pair correlations

* added cli functionality

* bash tutorial

* test for diporder_pair_weights

* put everything under the unreleased v0.0.1 in the changelog

* removed conda installation

* added new modules to doc

---------

Co-authored-by: Kira Fischer <kira@ih95.de>
Co-authored-by: Philip Loche <ploche@physik.fu-berlin.de>

Author: 3 people

CHANGELOG.rst

@@ -9,16 +9,13 @@ CHANGELOG file
   - keep the format consistent (79 char width, Y/M/D date format) and do not
     use tabs but use spaces for formatting
 
-Unreleased
-----------
-Henrik Stooß
 
-- Update the documentation (#8)
-
-v0.0.1 (2025/08/05)
--------------------
-Kira Fischer, Philip Loche
+Unreleased v0.0.1 (2025/08/05)
+------------------------------
+Kira Fischer, Philip Loche, Henrik Stooß
 
+- Migrated ``RDFDiporder`` and ``DiporderStructureFactor`` from MAICoS
+- Update the documentation (#8)
 - Update to Python 3.14 support
 - Updated the docs with Whatis section
 - Migrated code from maicos to scatterkit

README.rst

@@ -45,12 +45,7 @@ Install Scatterkit using `pip`_::
 
     pip install scatterkit
 
-Or with `conda`_ from conda-forge::
-
-    conda install -c conda-forge scatterkit
-
 .. _`pip`: https://pip.pypa.io
-.. _`conda`: https://www.anaconda.com
 
 .. inclusion-readme-installation-end
 

docs/src/analysis-modules/diporderstructurefactor.rst

@@ -0,0 +1,9 @@
+.. _DiporderStructureFactor:
+
+DiporderStructureFactor
+#######################
+
+.. autoclass:: scatterkit.DiporderStructureFactor
+    :members:
+    :undoc-members:
+    :show-inheritance:

docs/src/analysis-modules/rdfdiporder.rst

@@ -0,0 +1,9 @@
+.. _RDFDiporder:
+
+RDFDiporder
+#######################
+
+.. autoclass:: scatterkit.RDFDiporder
+    :members:
+    :undoc-members:
+    :show-inheritance:

docs/src/get-started/index.rst

@@ -10,5 +10,6 @@ This sections describes Scatterkit, how to install it, and its most basic comman
 
     scatterkit
     installation
+    ../examples/usage-bash
     units
     changelog