Cleanup nwchemio.
fixed PEP8 and esp
unit test for nwchem output
fixed pep8 and unit test for nwchem output
Fix COSMO.
Cleanup esp type task implementation.
Better unit parsing.
More flexible implementation of theory_directives.
Minor cleanup.
2.8.1 release.
Add remove_non_ascii method to string_utils.
Use it to make Cif parsing more robust.
Add some clarifying comments.
Some streamlining of code.
Merge branch 'master' of git://github.com/materialsproject/pymatgen
- Added optional attribute to PDEntry, ComputedEntry, ComputedStructureEntry
to be used for further analysis/plotting
- MSONabled PhaseDiagram object
- Added a basic processing of attributes of the PDEntries for the plotter
(more to be thought for the future)