From d0eb339067294e9124095d3ea99846944abe4b02 Mon Sep 17 00:00:00 2001
From: Hatem Helal <hatemh@graphcore.ai>
Date: Fri, 3 May 2024 11:45:08 +0000
Subject: [PATCH] use raw string for math in docstrings

---
 mess/orthnorm.py  | 8 ++++----
 mess/structure.py | 2 +-
 2 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/mess/orthnorm.py b/mess/orthnorm.py
index f813edd..c625d6e 100644
--- a/mess/orthnorm.py
+++ b/mess/orthnorm.py
@@ -1,5 +1,5 @@
 # Copyright (c) 2024 Graphcore Ltd. All rights reserved.
-"""Orthonormal transformation.
+r"""Orthonormal transformation.
 
 Evaluates the transformation matrix :math:`X` that satisfies
 
@@ -18,7 +18,7 @@
 
 
 def canonical(S: FloatNxN) -> FloatNxN:
-    """Canonical orthonormal transformation
+    r"""Canonical orthonormal transformation
 
     .. math:: \mathbf{X} = \mathbf{U} \mathbf{s}^{-1/2}
 
@@ -37,7 +37,7 @@ def canonical(S: FloatNxN) -> FloatNxN:
 
 
 def symmetric(S: FloatNxN) -> FloatNxN:
-    """Symmetric orthonormal transformation
+    r"""Symmetric orthonormal transformation
 
     .. math:: \mathbf{X} = \mathbf{U} \mathbf{s}^{-1/2} \mathbf{U}^T
 
@@ -56,7 +56,7 @@ def symmetric(S: FloatNxN) -> FloatNxN:
 
 
 def cholesky(S: FloatNxN) -> FloatNxN:
-    """Cholesky orthonormal transformation
+    r"""Cholesky orthonormal transformation
 
     .. math:: \mathbf{X} = (\mathbf{L}^{-1})^T
 
diff --git a/mess/structure.py b/mess/structure.py
index 0d1b0db..f6aef36 100644
--- a/mess/structure.py
+++ b/mess/structure.py
@@ -83,7 +83,7 @@ def molecule(name: str) -> Structure:
 
 
 def nuclear_energy(structure: Structure) -> float:
-    """Nuclear electrostatic interaction energy
+    r"""Nuclear electrostatic interaction energy
 
     Evaluated by taking sum over all unique pairs of atom centers: