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Update docs.
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shyuep committed Dec 30, 2017
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38 changes: 23 additions & 15 deletions docs_rst/change_log.rst
@@ -1,6 +1,14 @@
Change log
==========

v2017.12.30
-----------
* Added detailed Shannon radii information and method.
* Magoms for lanthanides (Weike Ye)
* Chemenv improvements (David Waroquiers)
* Ewald summation improvements (Logan Ward)
* Update to ABINIT support (G Matteo)

v2017.12.16
-----------
* Add optical absorption coefficient method
Expand All @@ -11,7 +19,7 @@ v2017.12.15
* Deprecated methods cleanup for 2018. Note that this may break some legacy
code. Please make sure you update your code!
* Better dielectric parsing for VASP 5.4.4 to include both density-density and
velocity-velocity functions.
velocity-velocity functions.
* Orbital-resolved COHPs support (Macro Esters)
* Convenient plot_element_profile method in PDPlotter.
* Input set for SCAN functional calculations.
Expand Down Expand Up @@ -85,7 +93,7 @@ v2017.9.23

v2017.9.3
---------
* VDW support (Marco Esters)
* VDW support (Marco Esters)
* Bug fix release.

v2017.9.1
Expand Down Expand Up @@ -140,21 +148,21 @@ v2017.8.4

v2017.7.21
----------
* Misc bug fixes to elastic (J. Montaya),
* Decrease default symprec in SpacegroupAnalyzer to 0.01, which should be
* Misc bug fixes to elastic (J. Montaya),
* Decrease default symprec in SpacegroupAnalyzer to 0.01, which should be
sufficiently flexible for a lot of non-DFT applications.

v2017.7.4
---------
* Bug fixes for oxide corrections for MP queried entries, and pickling of Potcars.
* Default to LPEAD=T for LEPSILON=T.
* Default to LPEAD=T for LEPSILON=T.

v2017.6.24
----------
* New package pymatgen.ext supporting external interfaces. Materials Project
REST interface has been moved to pymatgen.ext.matproj. Backwards compatibility
will be maintained until 2018.
* Two new interfaces have been added: i) Support for John Hopkin's Mueller
* Two new interfaces have been added: i) Support for John Hopkin's Mueller
group's efficient k-point servelet (J Montaya). ii) Support for
Crystallography Open Database structure queries and downloads. (S. P. Ong).
See the examples page for usage in getting structures from online sources.
Expand Down Expand Up @@ -513,7 +521,7 @@ v3.3.6
* Update to use enum.x instead of multienum.x.
* Minor robustness fixes to VaspInputSet serialization.
* Add a reciprocal density parameter to vasp sets.
* Minor bug fixes to Vasprun parsing.
* Minor bug fixes to Vasprun parsing.

v3.3.5
------
Expand Down Expand Up @@ -621,12 +629,12 @@ v3.2.4

v3.2.3
------
* Massive update to abinit support. Note that pymatgen.io.abinitio has
* Massive update to abinit support. Note that pymatgen.io.abinitio has
been refactored to pymatgen.io.abinit. (Matteo, Setten)
* NwOutput now supports parsing of Hessian matrices (contributed by Xin
* NwOutput now supports parsing of Hessian matrices (contributed by Xin
Chen)
* Gaussian support now has the ability to read potential energy surface
and electronic transitions computed with TD-DFT (Germain Salvato
and electronic transitions computed with TD-DFT (Germain Salvato
Vallverdu)
* Bug fixes for CifWriter with symmetry.
* Bug fixes for surface generation and reactions.
Expand All @@ -636,7 +644,7 @@ v3.2.1
------
* Fix wrong U value for Ce and Eu.
* Properly handle empty multiline strings in Cif
* Add ability to get specific data in MPRester.get_entries. Make all get_entry
* Add ability to get specific data in MPRester.get_entries. Make all get_entry
methods consistent in kwargs.

v3.2.0
Expand All @@ -659,12 +667,12 @@ v3.1.6
------
* Rudimentary PWSCF output reading.
* Fix ASE support.
* Support for WAVEDERF and reading multiple dielectricfunctions in vasprun.xml.
* Support for WAVEDERF and reading multiple dielectricfunctions in vasprun.xml.
(Miguel Dias Costa)

v3.1.5
------
* Move vasp.vasp*put to vasp.*puts. Also, maintain backwards compatibility with
* Move vasp.vasp*put to vasp.*puts. Also, maintain backwards compatibility with
vaspio.vasp_*put

v3.1.4
Expand All @@ -681,7 +689,7 @@ v3.1.3
removed in pymatgen 4.0. Pls migrate code when you see the deprecation
messages.
* Make Composition.anonymized_formula truly chemistry independent (No A2B2
for peroxides or A2 for diatomic gasses)
for peroxides or A2 for diatomic gasses)
* Allowing CIF data_* header to be prefixed with spaces and tabulations.

v3.1.2
Expand Down Expand Up @@ -737,7 +745,7 @@ v3.0.9
------
* Major bug fixes for CIF parsing (Will Richards).
* Support for {Li,Na} syntax in parse_criteria for MPRester.
* Additional example notebook for ordering and enumeration.
* Additional example notebook for ordering and enumeration.
* More robust checking for oxidation states in EnumerateStructureTRansformation.
* Improvements to Slab polarity checking.

Expand Down
9 changes: 6 additions & 3 deletions docs_rst/latest_changes.rst
@@ -1,7 +1,10 @@
Change log
==========

v2017.12.16
v2017.12.30
-----------
* Add optical absorption coefficient method
* Improve plot_element_profile
* Added detailed Shannon radii information and method.
* Magoms for lanthanides (Weike Ye)
* Chemenv improvements (David Waroquiers)
* Ewald summation improvements (Logan Ward)
* Update to ABINIT support (G Matteo)
4 changes: 2 additions & 2 deletions pymatgen/__init__.py
Expand Up @@ -9,7 +9,7 @@
__email__ ="pymatgen@googlegroups.com"
__maintainer__ = "Shyue Ping Ong"
__maintainer_email__ ="shyuep@gmail.com"
__version__ = "2017.12.16"
__version__ = "2017.12.30"


SETTINGS_FILE = os.path.join(os.path.expanduser("~"), ".pmgrc.yaml")
Expand Down Expand Up @@ -84,4 +84,4 @@ def get_structure_from_mp(formula):
if sys.version_info < (3, 5):
warnings.warn("""
Pymatgen will drop Py2k support from v2019.1.1. Pls consult the documentation
at https://www.pymatgen.org for more details.""")
at https://www.pymatgen.org for more details.""")
4 changes: 2 additions & 2 deletions setup.py
Expand Up @@ -97,7 +97,7 @@ def finalize_options(self):
setup(
name="pymatgen",
packages=find_packages(),
version="2017.12.16",
version="2017.12.30",
cmdclass={'build_ext': build_ext},
setup_requires=['numpy', 'setuptools>=18.0'],
install_requires=["numpy>=1.9", "six", "requests", "ruamel.yaml>=0.15.6",
Expand Down Expand Up @@ -173,4 +173,4 @@ def finalize_options(self):
'pydii = pymatgen.cli.pydii:main',
]
}
)
)

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