Merge documentation branch (#34)

* Configured Sphinx and reformatted docstrings

* Adding subtract self to the neighborlist generator (#19)

* Switching list comp (#24)

Switching the code to do the list comp once instead of within each loop

* Adding ability to override number of radial bases

* manual override n and added test cases

* removed extraneous arg

* Linter

* Linter

* Pointing to cutoff radius properly

* I messed with the history so now I'm restoring it

* pass linter

* removed error check restricting independent specification of max_radial and radial_gaussian_width

* added tests to ensure constant n functionality is correct

* linter

* num_radial -> max_radial in edp.py

* removed changes pertaining to coupling sigma and n to keep PR clean

* restored original compute_gaussian_parameters function header

* incorporated necessary changes to make constant n work for both orthonormalization and moments generation

* pass linter

* removed deprecated comment

* made definition of maxradial consistent with num_n and updated tests

* Update lint.yml (#25)

add diff to linter so we can see how files are failing the linter.

* Resolved merge conflict by incorporating both suggestions

* formatted docstrings, adjusted Sphinx config

* Fixed docstrings, adjusted sphinx config, manually rewrote modules.rst

* Fixed docstring formatting and changed sphinx theme

* Added custom CSS, replaced modules.rst with api.rst, adjusted sphinx conf and index.rst

* added ReadTheDocs configuration

* Fixed requirements.txt for RTD building

* Fixed requirements.txt

* Removed anisoap from requirements.txt

* removed unneccessary packages from requirements.txt

* changed config to not fail upon warning

* edited RTD config and requirements.txt

* changed requirements.txt to install metatensor and rascaline

* Fixing requirements.txt

* Fixed requirements.txt

* fixed requirements.txt

* fixed requirements.txt

* Changed RTD config

* fixed rust version in RTD config

* fixed rust version in RTD config

* changed pytorch requirement to cpu version

* fixed torch dependency

* edited metatensor dependency

* added tqdm to requirements.txt

* deleted modules.rst

* fixed api.rst

* fixed autosummary in api.rst

* fixed autodocs in api.rst

* Changed api.rst to have more detailed description

* further formatted docstrings

* fixed mathjax formatting

* fixed mathjax formatting

* restructuring documentation

* Fixing LaTeX and docstring formatting

* Changing copyright info, author info

* Removing .idea folder

* Building docs

* Built HTML and fixed docstrings

* linter

* isort

* linter

* deleted anisoap/reference/projection_coefficients.py

* Removed documentation for deleted module

* Fixed RST syntax errors in docstrings

* Formatted according to Black code style

* Delete anisoap/.idea directory

These seem ide specific, don't want them being on the anisoap main branch.

* equistore --> metatensor

* minor correction

---------

Co-authored-by: Rose K. Cersonsky <[email protected]>
Co-authored-by: Arthur Lin <[email protected]>
Co-authored-by: arthur-lin1027 <[email protected]>

.gitignore

@@ -71,9 +71,6 @@ instance/
 # Scrapy stuff:
 .scrapy
 
-# Sphinx documentation
-docs/_build/
-
 # PyBuilder
 target/
 

.readthedocs.yaml

@@ -0,0 +1,18 @@
+version: "2"
+
+build:
+  os: "ubuntu-22.04"
+  tools:
+    python: "3.10"
+    rust: "1.70"
+
+python:
+  install:
+    - requirements: docs/requirements.txt
+    # Install our python package before building the docs
+    - method: pip
+      path: .
+
+sphinx:
+  configuration: docs/source/conf.py
+  fail_on_warning: true