Pymatgen

Latest version: v2024.6.10

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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)

2020.9.14

Not secure
* New Plotly backend for PhaseDiagram plotting (mattmcdermott, 1936)
* New reporting and logging of Materials Project database version in MPRester (mkhorton, 1945)
* Improvements and bug fixes with mcsqs integration (rwoodsrobinson, 1942)
* Improvements to PackmolRunner (rkingsbury, 1947)
* Improvements to ComputerEntry (rkingsbury, 1948)
* Improvements for MPScanSet (rkingsbury, 1940)
* Bug fix for Surface and Composition (gpetretto, 1937)
* Bug fix for EwaldSummation serialization (lbluque, 1932)
* Bug fix for SeeK k-path (Ian496, 1930)
* Fix for deprecation warning in MPRester (rkingsbury, 1951)

2020.8.13

Not secure
* New GibbsComputedStructureEntry (mattmcdermott, 1921)
* Changes to MPScanRelaxSet and new MPScanStaticSet (rkingsbury, 1917)
* Changes to LobsterSet (JaGeo, 1928)
* Bug fix and change for MPRelaxSet (mkhorton, 9eb3ac2)
* Bug fix for JMolNN (utf, 1920)
* Bug fix for Element valences (rkurchin, 1926)
* Bug fix for BabelMolAdaptor (smheidrich, 1924)
* Bug fix for Gaussion IO (eimrek, 1918)

2020.8.3

Not secure
* Change neighbor-finding algorithm extension to C instead of C++ for better cross-platform robustness (chc273)
* Add I/O for JARVIS Atoms (knc6)

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