From c287677cbb8d2cb41d3baecded581774733e9e76 Mon Sep 17 00:00:00 2001
From: chmwzc <70616433+chmwzc@users.noreply.github.com>
Date: Mon, 4 Dec 2023 16:01:24 +0800
Subject: [PATCH] Draft code-examples documentation

---
 doc/source/code-examples/examples.rst | 46 +++++++++++++++++++++++++++
 doc/source/code-examples/index.rst    | 11 +++++++
 doc/source/index.rst                  |  1 +
 3 files changed, 58 insertions(+)
 create mode 100644 doc/source/code-examples/examples.rst
 create mode 100644 doc/source/code-examples/index.rst

diff --git a/doc/source/code-examples/examples.rst b/doc/source/code-examples/examples.rst
new file mode 100644
index 0000000..56daef8
--- /dev/null
+++ b/doc/source/code-examples/examples.rst
@@ -0,0 +1,46 @@
+Basic examples
+==============
+
+Here are a few short basic `how to` examples.
+
+How to define a Molecule in Qibochem
+------------------------------------
+
+A ``Molecule`` can be defined either inline, or using an ``.xyz`` file. An example for a H2 molecule:
+
+.. code-block::
+
+    from qibochem.driver.molecule import Molecule
+    
+    # Inline definition
+    h2 = Molecule([('H', (0.0, 0.0, 0.0)), ('H', (0.0, 0.0, 0.74804))])
+
+    # From an .xyz file
+    # h2 = Molecule(xyz_file='h2.xyz')
+
+Interfacing with PSI4/PySCF to obtain the 1-/2- electron integrals
+------------------------------------------------------------------
+
+After defining a ``Molecule``, the next step is to obtain the molecular integrals. Qibochem has has functions that interface with either `PySCF`_ or `PSI4`_ to do so:
+
+.. _PySCF: https://pyscf.org/
+.. _PSI4: https://psicode.org/
+
+.. code-block::
+
+    from qibochem.driver.molecule import Molecule
+    
+    # Inline definition of H2
+    h2 = Molecule([('H', (0.0, 0.0, 0.0)), ('H', (0.0, 0.0, 0.74804))])
+
+    # Using PySCF
+    h2.run_pyscf()
+    # Using PSI4
+    # h2.run_psi4()
+
+Next section
+------------
+
+hello world
+
+
diff --git a/doc/source/code-examples/index.rst b/doc/source/code-examples/index.rst
new file mode 100644
index 0000000..ca5822e
--- /dev/null
+++ b/doc/source/code-examples/index.rst
@@ -0,0 +1,11 @@
+.. _examples:
+
+Code examples
+=============
+
+This section provides examples of how to use Qibochem.
+
+.. toctree::
+    :maxdepth: 2
+
+    examples
diff --git a/doc/source/index.rst b/doc/source/index.rst
index 1d44428..f91d0e1 100644
--- a/doc/source/index.rst
+++ b/doc/source/index.rst
@@ -24,6 +24,7 @@ Contents
     :caption: Introduction
 
     getting-started/index
+    code-examples/index
 
 .. toctree::
     :maxdepth: 2