From 4e95db1bb791b69817fd7f83cc77d28d6be3333d Mon Sep 17 00:00:00 2001
From: Ajinkya Hire <ajinkyahire62@gmail.com>
Date: Tue, 26 Mar 2024 12:34:29 -0400
Subject: [PATCH] Added uf3 details to Commands_pair, Packages_details and
 Packages_list

---
 doc/src/Commands_pair.rst    |  1 +
 doc/src/Packages_details.rst | 26 ++++++++++++++++++++++++++
 doc/src/Packages_list.rst    |  5 +++++
 3 files changed, 32 insertions(+)

diff --git a/doc/src/Commands_pair.rst b/doc/src/Commands_pair.rst
index 9bbe216dec..b804afdfc0 100644
--- a/doc/src/Commands_pair.rst
+++ b/doc/src/Commands_pair.rst
@@ -302,6 +302,7 @@ OPT.
    * :doc:`tip4p/long/soft (o) <pair_fep_soft>`
    * :doc:`tri/lj <pair_tri_lj>`
    * :doc:`ufm (got) <pair_ufm>`
+   * :doc:`uf3 (k) <pair_uf3>`
    * :doc:`vashishta (gko) <pair_vashishta>`
    * :doc:`vashishta/table (o) <pair_vashishta>`
    * :doc:`wf/cut <pair_wf_cut>`
diff --git a/doc/src/Packages_details.rst b/doc/src/Packages_details.rst
index a3d65d9d65..edac1ee3f3 100644
--- a/doc/src/Packages_details.rst
+++ b/doc/src/Packages_details.rst
@@ -84,6 +84,7 @@ page gives those details.
    * :ref:`ML-QUIP <PKG-ML-QUIP>`
    * :ref:`ML-RANN <PKG-ML-RANN>`
    * :ref:`ML-SNAP <PKG-ML-SNAP>`
+   * :ref:`ML-UF3 <PKG-ML-UF3>`
    * :ref:`MOFFF <PKG-MOFFF>`
    * :ref:`MOLECULE <PKG-MOLECULE>`
    * :ref:`MOLFILE <PKG-MOLFILE>`
@@ -1925,6 +1926,31 @@ computes which analyze attributes of the potential.
 
 ----------
 
+.. _PKG-ML-UF3:
+
+ML-UF3 package
+--------------
+
+**Contents:**
+
+A pair style for the Ultra-Fast Forcefield potentials (UF3). UF3 is a 
+methodology for deriving a highly accurate classical potential which is fast to
+evaluate and is fitted to a large archives of quantum mechanical (DFT) data.
+The use of bspline basis set in UF3 enables the rapid evaluation of 2-body and 
+3-body interactions.
+
+**Authors:** Ajinkya C Hire (University of Florida),
+Hendrik Krass (University of Constance), 
+Matthias Rupp (Luxembourg Institute of Science and Technology), 
+Richard Hennig (University of Florida)
+
+**Supporting info:**
+
+* src/ML-UF3: filenames -> commands
+* :doc:`pair_style uf3 <pair_uf3>`
+* examples/uf3
+* https://github.com/uf3/uf3 
+
 .. _PKG-MOFFF:
 
 MOFFF package
diff --git a/doc/src/Packages_list.rst b/doc/src/Packages_list.rst
index c0a1164513..e86e43e9ce 100644
--- a/doc/src/Packages_list.rst
+++ b/doc/src/Packages_list.rst
@@ -318,6 +318,11 @@ whether an extra library is needed to build and use the package:
      - :doc:`pair_style snap <pair_snap>`
      - snap
      - no
+   * - :ref:`ML-UF3 <PKG-ML-UF3>`
+     - quantum-fitted ultra fast potentials
+     - :doc:`pair_style uf3 <pair_uf3>`
+     - uf3
+     - no
    * - :ref:`MOFFF <PKG-MOFFF>`
      - styles for `MOF-FF <MOFplus_>`_ force field
      - :doc:`pair_style buck6d/coul/gauss <pair_buck6d_coul_gauss>`