Skip to content

Releases: materialsproject/pymatgen

v4.0.1

09 Jul 07:01
Compare
Choose a tag to compare
  • Minor bug fix release.

v4.0.0

02 Jul 03:33
Compare
Choose a tag to compare
  • Massive update with many deprecated methods removed. Note that this
    may break backwards incompatibility!
  • Support for ABINIT 8.
  • Improved sulfide compatibility.

v3.7.1

20 Jun 21:05
Compare
Choose a tag to compare
  • Fix deprecation bug.

v3.7.0

19 Jun 14:00
Compare
Choose a tag to compare
  • 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

26 May 03:20
Compare
Choose a tag to compare
  • Massive cleanup to Boltztrap interface (Anubhav Jain)
  • Refactor of piezoelectric analysis to use tensor base class (Joey)
  • More robust CIF parsing.

v3.6.0

15 May 16:24
Compare
Choose a tag to compare
  • 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

12 May 20:09
Compare
Choose a tag to compare
  • Misc refactorings and bug fixes, especially for Outcar and Boltztrap classes.

v3.5.2

01 May 04:29
Compare
Choose a tag to compare
  • Minor update to DerivedInputSet interface.

v3.5.0

21 Apr 04:08
Compare
Choose a tag to compare
  • Chemical environment analysis package (David Waroquiers).
  • Piezoelectric property analysis (Shayam).

v3.4.0

01 Apr 22:51
Compare
Choose a tag to compare
v3.4.0 release

Former-commit-id: 553e03504d23c984279e64cc9a84a6981e404d22 [formerly d623aeaab050e731a278d3032125ccab2d91d615]
Former-commit-id: 0bfca61ee77fedcb01ef5603b9d87d0e0c4f1fce