Pymatgen

Latest version: v2024.6.10

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2.10.3

Not secure
* MPRester.query now supports a simple but powerful string criteria syntax
with support for wild cards.
* Improvements to Composition - support for negative compositions, sorting etc.
* Speed ups to StructureMatcher.

2.10.2

Not secure
* Bug fix for Projected DOS parsing in new Vasprun.
* Compatibility now has a _explain_ method which provides a detailed outline
of the changes that a Compatibility makes to an Entry.

2.10.1

Not secure
* Minor fix for monty requirements in setup.py.

2.10.0

Not secure
* Major update: MPRester now uses Materials API v2! Also major refactoring
of MPRester.
* Vastly improved Vasprun parser using cElementTree. Twice as fast,
half as much code and easier to maintain.
* Vast improvements to Qchem functionality (Xiaohui Qu).
* Improved handling of Structure manipulations for extremely large
structures (particularly in terms of memory consumption).
* Bug fix for XYZ parsing for scientific notation.
* Improve monty.serialization for transparent handling of JSON vs YAML.
Requirements updated to monty>=0.3.3.
* Update numpy requirements to 1.8+. Fixes memory leak.
* Other minor bug fixes.

2.9.14

Not secure
* Implements Structure.sort method. Both Structure.sort and the
get_sorted_structure methods now supports all arguments supported by list
.sort().
* VaspInputSets configs, as well as several other configs now uses yaml. Note
the new dependency on pyyaml. It is highly recommended that you install
pyyaml with the libyaml C bindings.
* Fix missing spglib dependency.
* Use monty.serialization for transparent handling of JSON vs YAML.
Requirements updated to monty>=0.3.1.

2.9.13

Not secure
* Urgent bug fix for missing compatibility yamls.

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