From 2d5ffb4569b5648f3ab874e88870b463c442f74f Mon Sep 17 00:00:00 2001
From: mkirsz <s1351949@sms.ed.ac.uk>
Date: Tue, 10 Dec 2024 12:35:37 +0000
Subject: [PATCH] new MLIPs section

---
 docs/source/index.rst | 21 ++++++++++---------
 docs/source/mlips.rst | 48 +++++++++++++++++++++++++++++++++++++++++++
 2 files changed, 59 insertions(+), 10 deletions(-)
 create mode 100644 docs/source/mlips.rst

diff --git a/docs/source/index.rst b/docs/source/index.rst
index 92082aa..c3d6ae1 100644
--- a/docs/source/index.rst
+++ b/docs/source/index.rst
@@ -1,25 +1,26 @@
-.. Tadah! documentation master file, created by
-   sphinx-quickstart on Sat Aug 14 23:30:23 2021.
-   You can adapt this file completely to your liking, but it should at least
-   contain the root `toctree` directive.
+Welcome to the Tadah! Website
+=============================
 
-Welcome to Tadah!'s documentation!
-===================================
+.. seealso:: 
+   For our interatomic potentials, see :ref:`mlips`.
+
+   Visit the Tadah! Git repository for more resources: https://git.ecdf.ed.ac.uk/tadah
 
 .. toctree::
    :maxdepth: 2
-   :caption: General
+   :caption: General Information
 
    intro.rst
    installation.rst
    contribute.rst
    LICENSE.rst
+   mlips.rst
 
 ----
 
 .. toctree::
    :maxdepth: 2
-   :caption: Usage
+   :caption: How to Use Tadah!
 
    quickstart.rst
    cli.rst
@@ -35,7 +36,7 @@ Welcome to Tadah!'s documentation!
 
 .. toctree::
    :maxdepth: 2
-   :caption: API
+   :caption: API Reference
 
    API/atom.rst
    API/basisfunctions.rst
@@ -53,7 +54,7 @@ Welcome to Tadah!'s documentation!
    API/st_descriptors.rst
    API/st_descriptors_db.rst
 
-Indices and tables
+Indices and Tables
 ==================
 
 * :ref:`genindex`
diff --git a/docs/source/mlips.rst b/docs/source/mlips.rst
new file mode 100644
index 0000000..9b3adeb
--- /dev/null
+++ b/docs/source/mlips.rst
@@ -0,0 +1,48 @@
+.. _mlips:
+
+Trained MLIPs
+=============
+
+Here you can find interatomic potentials created by our group and gain insight into our current projects.
+
+N2
+--
+
+Machine-learned interatomic potential specifically designed to study the phase diagram of Nâ‚‚ up to 10 GPa. The model requires the Tadah!LAMMPS plugin to be installed (:ref:`installation_lammps`).
+
+:download:`Tadah!N2 <mlips/tadah.n2>`
+
+`Understanding solid nitrogen through molecular dynamics simulations with a machine-learning potential <https://doi.org/10.1103/PhysRevB.110.184107>`_
+
+Kr
+--
+
+A two-body interatomic potential that performs exceptionally well given its simplicity. Two versions are provided. The first model (`Tadah!Kr1`) was fitted to CCSD(T) dimers, while the second model's energies were corrected using equilateral Kr trimers (`Tadah!Kr2`).
+
+Both potentials are provided in two formats: the native Tadah! format, which requires the Tadah!LAMMPS plugin (:ref:`installation_lammps`), and a tabulated potential formatted for LAMMPS pair_style table.
+
+:download:`Tadah!Kr1 <mlips/tadah.kr1>`
+:download:`Tadah!Kr1 tabulated <mlips/tadah.kr1.tab>`
+:download:`Tadah!Kr2 <mlips/tadah.kr2>`
+:download:`Tadah!Kr2 tabulated <mlips/tadah.kr2.tab>`
+
+**Under review**
+
+`This link will be updated once published <https://doi.org/>`_
+
+Ta
+--
+
+General-purpose and transferable machine learning interatomic potential for tantalum.
+
+**Work in progress**
+
+H2O
+---
+
+**Work in progress**
+
+CH4
+---
+
+**Work in progress**
-- 
GitLab