prep for pyxtal-1.0.6

MaterSim · Dec 7, 2024 · f0205db · f0205db
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diff --git a/README.md b/README.md
@@ -92,6 +92,23 @@ author = "Scott Fredericks and Kevin Parrish and Dean Sayre and Qiang Zhu",
 }
 ```
 
+### Site Symmetry Representation
+Levy D, Panigrahi S-S, Kaba S-O, Zhu Q, Galkin M, Miret S, Ravanbakhsh S. (2024) 
+[SymmCD: Symmetry-Preserving Crystal Generation with Diffusion Models AI for Accelerated Materials Design](https://openreview.net/forum?id=V7x2KZQn2v)
+NeurIPS 2024, 
+
+```bib
+@inproceedings{
+levy2024symmcd,
+title={Symm{CD}: Symmetry-Preserving Crystal Generation with Diffusion Models},
+author={Daniel Levy and Siba Smarak Panigrahi and S{\'e}kou-Oumar Kaba and Qiang Zhu and Mikhail Galkin and Santiago Miret and Siamak Ravanbakhsh},
+booktitle={AI for Accelerated Materials Design - NeurIPS 2024},
+year={2024},
+url={https://openreview.net/forum?id=V7x2KZQn2v}
+}
+```
+
+
 ### Symmetry relation
 Zhu Q, Kang B, Parrish K (2022). 
 [Symmetry Relation Database and Its Application to Ferroelectric Materials Discovery](https://link.springer.com/article/10.1557/s43579-022-00268-4)

diff --git a/doc/Usage.rst b/doc/Usage.rst
@@ -1300,3 +1300,19 @@ Finally, the both Group and Wyckoff_position classes support the access of the s
     
 
 Note that the space group symmetry has 26 symmetry elements as it includes additional screw axis (`2_1`, `3_1`, `3_2`, `4_1`, `4_2`, `4_3`, `6_1`, `6_2`, `6_3, `6_4`, `6_5`) and glide plane (`a`, `b`, `c`, `d`, `n`) operations.
+
+For the use of this function, please cite the following paper.
+
+::
+
+@inproceedings{
+levy2024symmcd,
+title={Symm{CD}: Symmetry-Preserving Crystal Generation with Diffusion Models},
+author={Daniel Levy and Siba Smarak Panigrahi and S{\'e}kou-Oumar Kaba and Qiang Zhu and Mikhail Galkin and Santiago Miret and Siamak Ravanbakhsh},
+booktitle={AI for Accelerated Materials Design - NeurIPS 2024},
+year={2024},
+url={https://openreview.net/forum?id=V7x2KZQn2v}
+}
+
+
+
diff --git a/doc/conf.py b/doc/conf.py
@@ -34,9 +34,9 @@ def __getattr__(cls, name):
 author = "Qiang Zhu, Scott Fredericks, Kevin Parrish"
 
 # The short X.Y version
-version = "1.0.5"
+version = "1.0.6"
 # The full version, including alpha/beta/rc tags
-release = "1.0.5"
+release = "1.0.6"
 
 # -- General configuration ---------------------------------------------------
 

diff --git a/doc/index.rst b/doc/index.rst
@@ -24,7 +24,7 @@ ab-initio generation of random crystal structures. It has the following features
 - Structural manipulation via symmetry relation (both subgroup and supergroup)
 - Geometry optimization from built-in and external optimization methods
 
-The current version is ``1.0.5`` at `GitHub <https://github.com/MaterSim/PyXtal>`_.
+The current version is ``1.0.6`` at `GitHub <https://github.com/MaterSim/PyXtal>`_.
 It is available for use under the MIT license. Expect updates upon request by
 `Qiang Zhu\'s group <https://qzhu2017.github.io>`_ at the
 University of North Carolina at Charlotte.

diff --git a/setup.py b/setup.py
@@ -28,7 +28,7 @@ def run(self):
 
 setup(
     name="pyxtal",
-    version="1.0.5",
+    version="1.0.6",
     author="Scott Fredericks, Kevin Parrish, Qiang Zhu",
     author_email="[email protected]",
     description="Python code for generation of crystal structures based on symmetry constraints.",