Update to v1.0.2

Author: computron

atomate/__init__.py

@@ -1 +1 @@
-__version__ = "1.0.1"
+__version__ = "1.0.2"

docs/_sources/advanced_stores.rst.txt

@@ -6,7 +6,7 @@
 Advanced Storage Stratagies
 ==================
 
-Storing data greater than 16 Mb 
+Storing data greater than 16 Mb
 ============
 
 Introduction
@@ -56,7 +56,7 @@ Note, this AWS profile needs to be available anywhere the ``VaspCalcDb.insert_ta
 Usage
 -----------
 
-Example: store the charge density 
+Example: store the charge density
 
 To parse a completed calculation directory.  We need to instantiate the ``drone`` with the ``parse_aeccar`` or ``parse_chgcar`` flag.
 
@@ -72,7 +72,7 @@ Some workflows like the ``StaticWF`` will pass the parsing flags like ``parse_ch
 To access the data using the task_id we can call
 
 .. code-block:: python
-    
+
     chgcar = mmdb.get_chgcar(task_id)
 
 Similar functionalities exist for the band structure and DOS.

docs/_sources/atomate.qchem.workflows.base.rst.txt

@@ -28,6 +28,14 @@ atomate.qchem.workflows.base.fragmentation module
    :undoc-members:
    :show-inheritance:
 
+atomate.qchem.workflows.base.reaction\_path module
+--------------------------------------------------
+
+.. automodule:: atomate.qchem.workflows.base.reaction_path
+   :members:
+   :undoc-members:
+   :show-inheritance:
+
 atomate.qchem.workflows.base.torsion\_potential module
 ------------------------------------------------------
 

docs/_sources/atomate.qchem.workflows.tests.rst.txt

@@ -36,6 +36,14 @@ atomate.qchem.workflows.tests.test\_parse\_pass\_write module
    :undoc-members:
    :show-inheritance:
 
+atomate.qchem.workflows.tests.test\_reaction\_path module
+---------------------------------------------------------
+
+.. automodule:: atomate.qchem.workflows.tests.test_reaction_path
+   :members:
+   :undoc-members:
+   :show-inheritance:
+
 atomate.qchem.workflows.tests.test\_torsion\_potential module
 -------------------------------------------------------------
 

docs/_sources/atomate.vasp.analysis.rst.txt

@@ -4,6 +4,14 @@ atomate.vasp.analysis package
 Submodules
 ----------
 
+atomate.vasp.analysis.linear\_response module
+---------------------------------------------
+
+.. automodule:: atomate.vasp.analysis.linear_response
+   :members:
+   :undoc-members:
+   :show-inheritance:
+
 atomate.vasp.analysis.phonopy module
 ------------------------------------
 

docs/_sources/atomate.vasp.workflows.base.rst.txt

@@ -84,6 +84,14 @@ atomate.vasp.workflows.base.gibbs module
    :undoc-members:
    :show-inheritance:
 
+atomate.vasp.workflows.base.hubbard\_hund\_linresp module
+---------------------------------------------------------
+
+.. automodule:: atomate.vasp.workflows.base.hubbard_hund_linresp
+   :members:
+   :undoc-members:
+   :show-inheritance:
+
 atomate.vasp.workflows.base.lobster module
 ------------------------------------------
 

docs/_sources/atomate.vasp.workflows.tests.rst.txt

@@ -52,6 +52,14 @@ atomate.vasp.workflows.tests.test\_ferroelectric\_workflow module
    :undoc-members:
    :show-inheritance:
 
+atomate.vasp.workflows.tests.test\_hubbard\_hund\_linresp module
+----------------------------------------------------------------
+
+.. automodule:: atomate.vasp.workflows.tests.test_hubbard_hund_linresp
+   :members:
+   :undoc-members:
+   :show-inheritance:
+
 atomate.vasp.workflows.tests.test\_insertion\_workflow module
 -------------------------------------------------------------
 

docs/_sources/builders.rst.txt

@@ -55,4 +55,4 @@ Running builders is simple. Note that running builders does not modify the sourc
 
 To try running builders, follow the example in ``atomate.vasp.builders.examples``. Afterwards, inspect your MongoDB database to find the new collections and data.
 
-Note that builders have a reset() function in case you want to start over.
+Note that builders have a reset() function in case you want to start over.

docs/_sources/changelog.rst.txt

@@ -366,4 +366,4 @@ atomate Changelog
 
 **v0.0.3**
 
-* initial release (A. Jain, S.P. Ong, K. Mathew, M. Aykol)
+* initial release (A. Jain, S.P. Ong, K. Mathew, M. Aykol)

docs/_sources/concepts.rst.txt

@@ -65,4 +65,4 @@ might come in handy when setting the NCORE parameter on NERSC machines:
 
 Thus, a good starting point is to set NCORE=4 for Matgen/Edison and NCORE=8 for
 Cori. Reduce NCORE if you want to try to increase speed at the risk of having
-lower memory available per orbital.
+lower memory available per orbital.