Merge pull request #26 from iantbeck/master

Docs overhaul part 1
CCQC · Aug 15, 2024 · a30bbfc · a30bbfc
2 parents 20231ee + 97b664c
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diff --git a/3_Keywords/keywords.md b/3_Keywords/keywords.md
@@ -186,6 +186,12 @@ If this keyword is not used, the software will ask what you want to do.
     * **Default**: angstrom
     * **Possible values**: bohr, angstrom
 
+* `tooclose`  
+  **Description:** Metric to compare interatimic distances. If a generated geometry contains an interatomic distance less than this value then the geometry will be removed. Comparisons are done in units of initial geometry.
+    * **Type**: int
+    * **Default**: 0.1
+    * **Possible values**: any integer
+
 
 ## Machine Learning Keywords (in alphabetical order)
 

diff --git a/docs/requirements.yml b/docs/requirements.yml
@@ -6,8 +6,10 @@ dependencies:
     - python=3.8
     - sphinx
     - sphinx_rtd_theme
+    - sphinx-book-theme
     - sphinx-automodapi
     - sphinx-autodoc-typehints
+    - sphinx-copybutton
     - autodoc-pydantic
 
       # PESLearn depends

diff --git a/docs/source/_static/peslearn.png b/docs/source/_static/peslearn.png
diff --git a/docs/source/community/community.rst b/docs/source/community/community.rst
@@ -0,0 +1,9 @@
+
+PES-Learn Community
+===================
+
+.. toctree::
+
+    Support <support>
+    Contribute <contribute>
+
diff --git a/docs/source/community/contribute.rst b/docs/source/community/contribute.rst
@@ -0,0 +1,5 @@
+
+Contribute to PES-Learn!
+========================
+
+We welcome contributions and ideas for PES-Learn! to get started, check out the `developer documentation <../develop/dev_docs.html>`_.
diff --git a/docs/source/community/support.rst b/docs/source/community/support.rst
@@ -0,0 +1,5 @@
+
+PES-Learn Support
+=================
+
+WIP
diff --git a/docs/source/conf.py b/docs/source/conf.py
@@ -14,7 +14,9 @@
 # -- General configuration ---------------------------------------------------
 # https://www.sphinx-doc.org/en/master/usage/configuration.html#general-configuration
 
-extensions = []
+extensions = [
+    'sphinx_copybutton'
+]
 
 templates_path = ['_templates']
 exclude_patterns = []
@@ -24,5 +26,11 @@
 # -- Options for HTML output -------------------------------------------------
 # https://www.sphinx-doc.org/en/master/usage/configuration.html#options-for-html-output
 
-html_theme = 'alabaster'
+html_theme = 'sphinx_book_theme'
 html_static_path = ['_static']
+html_theme_options = {'use_sidenotes': True,
+                      'logo': {
+                          'text': 'PES-Learn',
+                      },
+                      }
+html_logo = '_static/peslearn.png'
diff --git a/docs/source/develop/dev_docs.rst b/docs/source/develop/dev_docs.rst
@@ -0,0 +1,3 @@
+
+Developer Documentation coming soon!
+====================================