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Change log | ||
========== | ||
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||
v3.0.0 | ||
v3.0.1 | ||
------ | ||
* 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. | ||
1. Minor bug fixes for cifio. | ||
2. Py3k updates for abinitio. |
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.. toctree:: | ||
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pymatgen.io.abinitio | ||
pymatgen.io.gwwrapper | ||
pymatgen.io.vaspio | ||
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Submodules | ||
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