Pymatgen

Latest version: v2024.5.1

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Page 18 of 59

2020.7.10

Not secure
* Bug fix: serialization of slabs (utf)
* Bug fix: enumlib url (wsyxbcl)
* Bug fix: change in tolerance for Lattice comparison (mbjumar)
* Bug fix: k-path division by zero (mfherbst)
* New: support for openbabel 3.0 (orioncohen)

2020.7.3

Not secure
* Make Slabs properly serializable in as_dict. Fixes 1892.
* Fixes for Critic2Caller (yuuukuma)
* Add cost data for He, H, Ar, Ne, Kr, Tc (computron)
* Parse scientific notation in OUTCAR (possibly without spaces in between)
* Spin support for boltztrap2 (fraricci)
* New static method to generate basis functions Lobster (JaGeo)
* SLME and spillage analysis (knc6)

2020.6.8

Not secure
* New: Support for parsing WAVECARS with spin-orbit coupling (mturiansky, 1861)
* New: Support to convert WAVECAR to wannier90 UNK files (mturiansky, 1861)
* New: Site-weighted XAS spectrum (yimingchen95, 1837)
* Fixed: Elfcar serialization (ayushgupta, 1859)
* Fixed: Units in label for phonon plot (ab5424, 1857)
* Fixed: StructureMatcher serialization (lbluque, 1850)
* Fixed: Comment string in KPOINTS file (Andrew-S-Rosen, 1842)
* Fixed: parsing of dielectric function in VASP output (computron, 1836)

2020.4.29

Not secure
* Improved SQS caller. (rwoodsrobinson)
* VolumetricData speedup (mturiansk)
* Misc bug fixes

2020.4.2

Not secure
* New high-symmetry k-path algorithm (munrojm, kt-latimer)
* New TEM diffraction calculator (welltemperedpaprika, thefrankwan, shyamd)
* New plotly plotting option for Wulff shapes (CifLord)
* Improvements to SQS caller (rwoodsrobinson)
* Various bug fixes and improvements (mfherbst, chc273,
jacksund, espottesmith, hongyi-zhao, montoyjh,
dongsenfo, dynikon) including significant BrunnerNN, EconNN fixes (utf),
see individual pull requests for details.

2020.3.13

Not secure
* Added angle_tolerance to CifWriter.
* Change default float precision in CifWriter to 8. Adds float_prec kwarg to
allow setting of arbitrary precision.
* Rudimentary pymatgen.io.vasp.help.VaspDoc class for obtaining help from VASP wiki.
* Massive documentation cleanup.
* Reorganization of Entry, ComputedEntry (ayushsgupta).
* Bug fix for PourbaixDiagram (montoyjh).
* Read WAVECAR from gamma-point only VASP executable. (bernstei)

Page 18 of 59

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