Releases: materialsproject/pymatgen
Releases · materialsproject/pymatgen
v4.0.0
- Massive update with many deprecated methods removed. Note that this
may break backwards incompatibility!
- Support for ABINIT 8.
- Improved sulfide compatibility.
v3.7.0
- 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.
v3.6.1
- Massive cleanup to Boltztrap interface (Anubhav Jain)
- Refactor of piezoelectric analysis to use tensor base class (Joey)
- More robust CIF parsing.
v3.6.0
- 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
v3.5.3
- Misc refactorings and bug fixes, especially for Outcar and Boltztrap classes.
v3.5.2
- Minor update to DerivedInputSet interface.
v3.5.0
- Chemical environment analysis package (David Waroquiers).
- Piezoelectric property analysis (Shayam).
v3.4.0
v3.4.0 release
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