From 097162a624b673a49474c8224f8cfea346c55129 Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Mon, 27 May 2024 15:21:52 +0200
Subject: [PATCH 1/3] Updated OCaml binding

---
 ocaml/trexio/read_json.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/ocaml/trexio/read_json.py b/ocaml/trexio/read_json.py
index ef4e598..184b104 100755
--- a/ocaml/trexio/read_json.py
+++ b/ocaml/trexio/read_json.py
@@ -8,10 +8,10 @@ ml_file   = "trexio.ml"
 mli_file  = ml_file+"i"
 
 def check_version():
-   with open('trexio.opam','r') as f:
+   with open('dune-project','r') as f:
       for line in f:
-         if line.startswith("version"):
-            ocaml_version = line.split(':')[1].strip()[1:-1]
+         if line.startswith("(version"):
+            ocaml_version = line.split()[1].strip().replace(')','')
             break
    with open('../../configure.ac','r') as f:
       for line in f:

From da62668b1f951fd933f8cfa45079dde1a042e7bd Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Wed, 16 Oct 2024 16:54:56 +0200
Subject: [PATCH 2/3] Introduced real solid harmonics in the documentation

---
 trex.org | 16 +++++++++++-----
 1 file changed, 11 insertions(+), 5 deletions(-)

diff --git a/trex.org b/trex.org
index c9824ea..7b93fdf 100644
--- a/trex.org
+++ b/trex.org
@@ -684,13 +684,19 @@ power = [
    \]
 
    where $i$ is the atomic orbital index, $P$ refers to either
-   polynomials or spherical harmonics, and $s(i)$ specifies the shell
-   on which the AO is expanded.
+   polynomials in $x,y,z$ or real solid harmonics
+   \[
+   S^m_{\ell}(\mathbf{r}) \equiv \sqrt{\frac{4\pi}{2\ell+1}}\; r^\ell
+   Y^m_{\ell}(\theta,\varphi)
+   \]
+   (see [[https://en.wikipedia.org/wiki/Solid_harmonics][Wikipedia]]), and $s(i)$
+   specifies the shell on which the AO is expanded.
 
+   
    $\eta(i)$ denotes the chosen angular function.  The AOs can be
-   expressed using real spherical harmonics or polynomials in Cartesian
-   coordinates.  In the case of real spherical harmonics, the AOs are
-   ordered as $0, +1, -1, +2, -2, \dots, + m, -m$ (see [[https://en.wikipedia.org/wiki/Table_of_spherical_harmonics#Real_spherical_harmonics][Wikipedia]]).  In
+   expressed using real solid harmonics or polynomials in Cartesian
+   coordinates.  In the case of real solid harmonics, the AOs are
+   ordered as $0, +1, -1, +2, -2, \dots, + m, -m$).  In
    the case of polynomials, the canonical (or alphabetical) ordering is
    used,
 

From 9ea712a4348c64b8302db8bb9773f92e8c382e23 Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Wed, 16 Oct 2024 17:00:19 +0200
Subject: [PATCH 3/3] Fix ocaml version

---
 ocaml/trexio/dune-project | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/ocaml/trexio/dune-project b/ocaml/trexio/dune-project
index 71fc87f..8e94d71 100644
--- a/ocaml/trexio/dune-project
+++ b/ocaml/trexio/dune-project
@@ -1,7 +1,7 @@
 (lang dune 3.1)
 
 (name trexio)
-(version 2.5.0)
+(version 2.5.1)
 
 (generate_opam_files false)