update to v0.4.1

hackingmaterials · Jan 6, 2017 · ec92e84 · ec92e84
1 parent 3a98c93
commit ec92e84
Show file tree

Hide file tree

Showing 4 changed files with 22 additions and 4 deletions.
diff --git a/atomate/__init__.py b/atomate/__init__.py
@@ -1,3 +1,3 @@
-__version__ = '0.4.0'
+__version__ = '0.4.1'
 
 from atomate.utils.utils import get_wf_from_spec_dict
diff --git a/docs/changelog.rst b/docs/changelog.rst
@@ -2,6 +2,23 @@
 atomate Changelog
 ====================
 
+**v0.4.1**
+* more fixes for elastic workflow (J. Montoya)
+* more validation for VASP runs (A. Faghaninia)
+* more flexible ObjectId insertion (A. Faghaninia)
+* misc doc updates
+
+**v0.4**
+* rename of "MatMethods" to atomate(!)
+* bulk modulus workflow and equation of state (K. Matthew)
+* add features to Gibbs workflows (K. Matthew)
+* elastic workflow updates (J. Montoya, K. Matthew)
+* Spin orbit coupling (A. Faghaninia)
+* HSE line-mode band structure workflow (A. Faghaninia)
+* Feff workflows (K. Matthew)
+* bug fixes (K. Matthew)
+* much code refactoring, cleanup, and many minor improvements (K. Matthew, A. Jain, J. Montoya, S.P. Ong, B. Bocklund, A. Faghaninia)
+
 **v0.3**
 
 * Raman workflow (K. Mathew)

diff --git a/docs/contributors.rst b/docs/contributors.rst
@@ -6,9 +6,10 @@ atomate development is led by the Hacking Materials research group led by Anubha
 
 Major contributions are provided by:
 
-* The Materials Virtual Lab research group of Prof. Shyue Ping Ong at UC San Diego.
+* Alireza Faghaninia in the Hacking Materials group.
 * Kiran Mathew, Shyam Dwaraknath, Joey Montoya, and Murat Aykol through the research group of Prof. Kristin Persson at UC Berkeley.
+* The Materials Virtual Lab research group of Prof. Shyue Ping Ong at UC San Diego.
 
 Minor contributions are provided by:
 
-* Alireza Faghaninia
+* Brandon Bocklund at Penn State.
diff --git a/setup.py b/setup.py
@@ -9,7 +9,7 @@
 if __name__ == "__main__":
     setup(
         name='atomate',
-        version='0.4.0',
+        version='0.4.1',
         description='atomate has implementations of FireWorks workflows for '
                     'Materials Science',
         long_description=open(os.path.join(module_dir, 'README.rst')).read(),