Update documentation

CITATION.cff

@@ -5,6 +5,6 @@ authors:
   given-names: "Alexander"
   orcid: "https://orcid.org/0000-0002-6402-2343"
 title: "findTDE"
-version: 1.1.5
+version: 1.1.6
 date-released: 2023-09-27
 url: "https://github.com/hauck-as/findTDE"

docs/GaN_findTDE_example.ipynb

@@ -0,0 +1 @@
+../examples/GaN_findTDE_example.ipynb

docs/Tutorials.rst

@@ -9,6 +9,4 @@ Example calculations using ``findTDE`` with ``VASP`` and ``LAMMPS`` including da
 .. toctree:
     :maxdepth: 2
 
-    GaN VASP
-    GaN LAMMPS
-    AlN VASP
+    GaN_findTDE_example

docs/conf.py

@@ -8,7 +8,7 @@
 author = 'Alexander S. Hauck'
 
 release = '1.1'
-version = '1.1.5'
+version = '1.1.6'
 
 # -- General configuration
 

docs/dev_todo.md

@@ -1,10 +1,4 @@
 # `findTDE` upcoming work
-* remove dependence on slurm submission script and make more transferrable
--> how to do: need most of script to operate in typical directory and exclusively perform VASP calculations outside
-    * script itself may be fine, just replacing slurm submission with vasp execution
-    * maybe use flags in pbs script to determine when to perform elsewhere: execute find_tde until specific comment line, perform a command, then continue original script
-    * could set up multiple functions then on script call, execute certain functions
-    * option to specify separate directory for executing vasp?
 * add in VASP ML utility
 
 ## multi_tde.py

docs/index.rst

@@ -78,3 +78,10 @@ If you use ``findTDE`` in your research, please cite:
 Acknowledgements
 ----------------
 The ``findTDE`` code was developed by Alexander Hauck, Dr. Mia Jin, and Dr. Blair Tuttle at The Pennsylvania State University.
+
+.. toctree::
+    :hidden:
+    :caption: Usage
+    :maxdepth: 4
+
+    Tutorials