Pymatgen

Latest version: v2024.6.10

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2021.2.8.1

Not secure
* Patch release to restore `CompositionError` to preserve backwards compatibility.

2021.2.8

Not secure
* Addition of new job types to Q-Chem IO (espottesmith, 2055),
note `metal_edge_extender` has been moved into `local_env` for this change
* Improvements to string utils, new Stringify mixin with
to_pretty_string(), to_latex_string(), to_unicode_string(), to_html_string() (shyuep)
* Improvements to build system (shyuep, ltalirz, see 2046)
* Entry is now immutable, removing "in_place" option for normalize (mkhorton, mattmcdermott, 2060)
* Bug fix for co-ordination geometry finder (davidwaroquiers, 2035)
* Bug fix for GibbsComputedStructureEntry (mattmcdermott)

2021.1.28

* Ability to read Lobster wavefunctions (JaGeo, 2034)
* Method to estimate number of bands for VASP calculation (rwoodsrobinson, 2044)
* Q-Chem cube file plotting and improvements to output parsring (samblau, 2032)
* Improvements to PhaseDiagram hashing and equality checking (CompRhys, 2014)
* Improvements to pymatgen import speed (mkhorton, 2031)
* Bug fix for k-path generation (munrojm, 2037)
* Bug fix for parsing of core potentials from VASP (utf, 2033)

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)

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