Pymatgen

Latest version: v2024.5.1

Safety actively analyzes 630130 Python packages for vulnerabilities to keep your Python projects secure.

Scan your dependencies

Page 56 of 59

2.5.3

Not secure
* Bug fix for StructureNotationalLanguage.
* Support for LDA US potential. matgenie.py script option to generate POTCARs.
* Beta version of StructureNotationLanguage, a markup format for Structure
data with metadata such as authors and references. (Anubhav Jain)
* Vasprun parsing now parses dielectric constant where available. (Geoffroy
Hautier)
* New custom ipython shell script for pymatgen.
* Miscellaneous bug fixes and speedups.

2.5.1

Not secure
* Bug fixes for primitive cell finder.
* Remove deprecated use_external_qhull option in PhaseDiagram classes.
* Miscellaneous bug fixes and speedups.

2.5.0

Not secure
* Added optimization package with linear assignment class.
* Improved robustness of StructureMatcher using linear assignment.
* Improved primitive cell search (faster and more robust).
* Cleanup of deprecated methods, including
pymatgen.alchemy.materials.TransformedMaterial.undo/redo_last_transformation,
pymatgen.core.site.Site.distance_and_image_old, Poscar.struct,
StructureFitter and tests.
* Miscellaneous bug fixes and speedups.

2.4.3

Not secure
* Bug fix for StructureMatcher.
* Miscellaneous speedups.

2.4.0

Not secure
* New StructureMatcher that effectively replaces StructureFitter. Orders of
magnitude faster and more robust. StructureFitter is now deprecated.
* Vastly improved PrimitiveCellTransformation.
* A lot of core methods have been rewritten to take advantage of vectorization
in numpy, resulting in orders of magnitude improvement in speed.
* Miscellaneous bug fixes and speedups.

2.3.2

Not secure
* More utilities for working with Periodic Boundary Conditions.
* Improved MPRester that supports more data and a new method of specifying
the API key for heavy users via a MAPI_KEY environment variable. Please
refer to the :doc:`usage pages </usage>` for more information.
* Vastly improved POTCAR setup script in scripts directly that is now
installed as part of a default pymatgen installation.
* Miscellaneous bug fixes and speedups.

Page 56 of 59

Links

Releases

Has known vulnerabilities

© 2024 Safety CLI Cybersecurity Inc. All Rights Reserved.