Pymatgen

Latest version: v2024.5.1

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4.0.0

Not secure
* Massive update with many deprecated methods removed. Note that this
may break backwards incompatibility!
* Support for ABINIT 8.
* Improved sulfide compatibility.

3.7.1

Not secure
* Fix deprecation bug.

3.7.0

Not secure
* Last version before pymatgen 4.0, where deprecated modules will be removed!
* Massive update to LAMMPS (Kiran Matthews).
* New input sets with a different interface that replaces old input sets.
* Massive update to elastic properties.

3.6.1

Not secure
* Massive cleanup to Boltztrap interface (Anubhav Jain)
* Refactor of piezoelectric analysis to use tensor base class (Joey)
* More robust CIF parsing.

3.6.0

Not secure
* Pymatgen now uses spglib directly from Togo's website. Spglib is no longer
bundled as a dependency.
* Improved support for velocities in Poscar (Germaine Vallverdu)
* Backwards incompatible change in Born charge format in Outcar.
* Fixes for Lammps input serialization

3.5.3

Not secure
* Misc refactorings and bug fixes, especially for Outcar and Boltztrap classes.

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