From 7aa134ba46299fb3e9a43313f07245cddb228f8a Mon Sep 17 00:00:00 2001
From: Sarath <sarathmenon@mailbox.org>
Date: Tue, 6 Aug 2024 15:41:16 +0200
Subject: [PATCH 1/2] add reps

---
 src/pyscal3/structure_creator.py | 11 +++++++----
 1 file changed, 7 insertions(+), 4 deletions(-)

diff --git a/src/pyscal3/structure_creator.py b/src/pyscal3/structure_creator.py
index 11740ab..6a1a0be 100644
--- a/src/pyscal3/structure_creator.py
+++ b/src/pyscal3/structure_creator.py
@@ -126,6 +126,9 @@ def make_crystal(structure,
     box[1] = repetitions[1]*np.array(box[1])
     box[2] = repetitions[2]*np.array(box[2])
 
+    #finally, add repetitions to sdict
+    sdict['repetitions'] = repetitions
+    
     if return_structure_dict:
         return patoms, box, sdict
 
@@ -177,13 +180,13 @@ def general_lattice(positions,
                     }
                 }
             }
-
-    atoms, box = make_crystal("custom", lattice_constant=lattice_constant,
+    
+    atoms, box, sdict_mod = make_crystal("custom", lattice_constant=lattice_constant,
         repetitions=repetitions, noise=noise, element=element,
-        structures=sdict)
+        structures=sdict, return_structure_dict=True)
 
     if return_structure_dict:
-        return atoms, box, sdict
+        return atoms, box, sdict_mod
 
     return atoms, box
 

From 327b9af483b3e53150ae9cb4e4f54a8069d054c0 Mon Sep 17 00:00:00 2001
From: Sarath <sarathmenon@mailbox.org>
Date: Tue, 6 Aug 2024 15:41:22 +0200
Subject: [PATCH 2/2] =?UTF-8?q?Bump=20version:=203.2.6=20=E2=86=92=203.2.7?=
MIME-Version: 1.0
Content-Type: text/plain; charset=UTF-8
Content-Transfer-Encoding: 8bit

---
 .bumpversion.cfg | 2 +-
 setup.py         | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/.bumpversion.cfg b/.bumpversion.cfg
index 8ec5679..69dc589 100644
--- a/.bumpversion.cfg
+++ b/.bumpversion.cfg
@@ -1,5 +1,5 @@
 [bumpversion]
-current_version = 3.2.6
+current_version = 3.2.7
 commit = True
 tag = True
 
diff --git a/setup.py b/setup.py
index 071565e..142bb3d 100644
--- a/setup.py
+++ b/setup.py
@@ -7,7 +7,7 @@
 
 setup(
     name='pyscal3',
-    version='3.2.6',
+    version='3.2.7',
     author='Sarath Menon',
     author_email='sarath.menon@pyscal.org',
     description='Python library written in C++ for calculation of local atomic structural environment',