Pymatgen

Latest version: v2024.5.1

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2021.2.16

Not secure
* Add a new interface to OPTIMADE-compliant APIs in pymatgen.ext.optimade (mkhorton, 2066)
* Addresses missing text file, all_cg.txt, in package
* Note that a previous released increased the suggested minimum numpy version and suggested minimum Python version
* Previous release also dropped support for aconvasp since this the interface has not been maintained

2021.2.14

Not secure
* Misc bug fixes.

2021.2.12

* Misc bug fixes.

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)

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