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Pymatgen is now completely Python 2.7 and Python 3.x compatible!
Spglib and pyhull have been updated to support Python 3.x.
Completely rewritten pure python cifio module (courtesy of William Davidson
Richards) removed dependency on PyCIFRW, which has been causing many issues
with installation.
Structure and Molecule now supports a very convenient to() and from_str and
from_file functionality. Instead of trying to load the appropriate parser,
you can output and read from the appropriate formats directly. See example
usage.
~50% speedup to LinearAssignment code.
Continuous integration and contribution guidelines now include Python 3.
Backwards incompatible changes
matgenie.py has now been renamed simply "pmg" for brevity.
All deprecated methods in pymatgen 2.x have been removed. E.g.,
pymatgen.core.structure_modifier is no longer available.
Pymatgen classes now uses the as_dict() method protocol implemented in the
Monty package. The to_dict property is now deprecated and will be removed
in pymatgen v3.1.
Update main docs page examples with the new Structure to, from formats.