version 1.4.5 bump

usnistgov · Jun 1, 2022 · 2aa0ce6 · 2aa0ce6
1 parent 72f6fc7
commit 2aa0ce6
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Showing 5 changed files with 30 additions and 3 deletions.
diff --git a/MANIFEST.in b/MANIFEST.in
@@ -1,5 +1,7 @@
 include README.rst
 include atomman/VERSION
+include UPDATES.rst
+include LICENSE.TXT
 
 include atomman/core/*.pyx
 include atomman/core/*.pxd

diff --git a/UPDATES.rst b/UPDATES.rst
@@ -1,6 +1,31 @@
 Updates
 =======
 
+Version 1.4.5
+-------------
+
+- **atomman.defect.FreeSurface** now has a unique_shifts() method that uses
+  crystal symmetry to filter out most symmetrically equivalent termination
+  planes.
+
+- **atomman.dump.primitive_cell** has been added that uses spglib to take an
+  atomic system and return a new system corresponding to the identified
+  primitive unit cell.
+
+- **atomman.dump.phonopy_Atoms** is updated for newer versions of phonopy.
+
+- **strain** methods have been added to **atomman.defect.VolterraDislocation**
+  and its subclasses to provide the strain associated with the dislocation
+  solutions.  Stress and displacement methods in **atomman.defect.Stroh** have
+  been adjusted to improve calculation speed.
+
+- **atomman.defect.pn_arctan_disldensity** added and 
+  **atomman.defect.pn_arctan_disregistry** updated for consistency and new
+  options.  These give classic Peierls-Nabarro dislocation width models.
+
+- **load_table** method has been added to **atomman.cluster.BondAngleMap**
+  allowing for the data generated by save_table to be read back in.
+
 Version 1.4.4
 -------------
 

diff --git a/atomman/VERSION b/atomman/VERSION
@@ -1 +1 @@
-1.4.4
+1.4.5
diff --git a/requirements.txt b/requirements.txt
@@ -8,4 +8,4 @@ matplotlib
 cython
 requests
 toolz
-potentials==0.3.1
+potentials==0.3.4
diff --git a/setup.py b/setup.py
@@ -64,7 +64,7 @@ def getreadme():
         'cython',
         'requests',
         'toolz',
-        'potentials==0.3.3'
+        'potentials==0.3.4'
     ],
     include_package_data = True,
     zip_safe = False