Pymatgen

Latest version: v2024.5.1

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2020.12.31

Not secure
* End of 2020 release with minor bug fixes for cli scripts.

2020.12.18

Not secure
* New IsayevNN nearest-neighbor algorithm (utf, 2011)
* Improvements to electrode objects (jmmshn, 2016)
* Improvements to Element and PhaseDiagram (jmmshn, 2005)
* Bug fix to increase minimum version of setuptools which was causing incompatible versions of numpy to be installed for some users (shyuep, see issue 2010)
* Bug fix to VASP run type detection (rkingsbury, 2007)

2020.12.3

Not secure
* Site insertion algorithm based on charge density (jmmshn, 1997)
* Allow calculation of Fermi level from occupancies in VASP calculation (rkingsbury, 2000)
* Improvement to legibility of 3D phase diagram plots (bayesfactor, 1999)
* Improvement to allow general input for exciting (vorwerkc, 1975)
* Improvements to code formatting (mkhorton, 2008)
* Bug fix for VASP run type detection (rkingsbury, 1996)

2020.11.11

Not secure
* Bug fix for PhononBandStructureSymmLine. (gpetretto)
* Improved robustness in ABINIT input generation. (gpetretto)
* Other minor bug fixes.

2020.10.20

Not secure
1. Cp2K support (nwinner)
2. Better BSPlotter (fraricci)
3. Better deprecation warnings.
4. Bug fix for Py3.9 support.
5. Bug fix for neutron diffraction get_plot.

2020.10.9

Not secure
* Cube parsing and Cube integration to Bader (nwinner, 1967)
* Improvements to PhaseDiagram (CompRhys, 1899)
* Improvements to VASP sets to calculate NGX/Y/Z, NGX/Y/ZF (jmmshn, 1959)
* Changes to MPRelaxSet, default to low spin for Co (shyuep, 1976)
* Changes to MPScanSet (rkingsbury, 1952)
* Rename of `Specie` to `Species`, `Specie` will be retained for backwards compatibility (shyuep, 1963)
* Bug fix for VASP sets (utf, 1979)
* Bug fix for PDPlotter (mattmcdermott, 1973)
* Bug fix for EnergyAdjustment (rkingsbury, 1960)

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