Bump pymatgen from 2022.0.14 to 2022.0.16

[dependabot]

Bumps pymatgen from 2022.0.14 to 2022.0.16.

Release notes

Sourced from pymatgen's releases.

v2022.0.16

• Fix to allow PhaseDiagram to be JSON serializable with computed data cached (@​mkhorton, #2276)
• Temporarily revert #2239 pending investigation into slow-down in some nearest neighbor finding routines. This does not affect the behavior of any of these classes.

v2022.0.15

Welcome to new contributors @​blokhin, @​pzarabadip, @​ml-evs, @​wuxiaohua1011, @​janssenhenning and @​penicillin0.

A reminder to all new contributors to ensure your information is accurate at https://pymatgen.org/team.html so that you are acknowledged appropriately by filling out the linked form.

• Breaking change in PhaseDiagram serialization which will affect any users of BasePhaseDiagram which has now been removed (@​shyuep, 2b9911d)

• Speed up nearest-neighbor routines & structure graph generation (@​ltalirz, #2239)

• Add two more pre-defined OPTIMADE aliases (@​blokhin, #2242)

• Refactor interface_reactions module, adding support for Plotly (@​mattmcdermott, #2233)

• Update NOMAD access in MPRester (@​wuxiaohua1011, #1958)

• General improvements to Phase Diagram code (@​CompyRhys, #2263, #2264, #2268)

• Improve appearance of periodic table heatmap (@​penicillin0, #2272)

• Small improvements to battery classes (@​jmmshn, #2262)

• Fix for Composition.chemical_system to match expected behaviour for compositions with oxidation states (@​CompRhys, #2249)

• Fix for bad param in OPTIMADE reponse fields (@​ml-evs, #2244)

• Fix for issue in parsing bandOverlaps.lobster file (@​pzarabadip, #2237)

• Fix for Moladaptor (@​orioncohen, #2269)

• Fix for incorrect Potcar hash warnings (@​mkhorton, #2273)

• Type hint and correct documentation of Structure.remove_site_properties (@​kmu, #2256)

• Type hint improvements across pymatgen (@​janosh, #2241, #2247, #2261)

• Add pymatgen-io-fleur addon to addons page (@​janssenhenning, #2232)

Changelog

Sourced from pymatgen's changelog.

v2022.0.16

• Fix to allow PhaseDiagram to be JSON serializable with computed data cached (@​mkhorton, #2276)
• Temporarily revert #2239 pending investigation into slow-down in some nearest neighbor finding routines. This does not affect the behavior of any of these classes.

v2022.0.15

Welcome to new contributors @​blokhin, @​pzarabadip, @​ml-evs, @​wuxiaohua1011, @​janssenhenning and @​penicillin0. A reminder to all new contributors to ensure your information is accurate at https://pymatgen.org/team.html so that you are acknowledged appropriately by filling out the linked form.

• Breaking change in PhaseDiagram serialization which will affect any users of BasePhaseDiagram which has now been removed (@​shyuep, 2b9911d)

• Speed up nearest-neighbor routines & structure graph generation (@​ltalirz, #2239)

• Add two more pre-defined OPTIMADE aliases (@​blokhin, #2242)

• Refactor interface_reactions module, adding support for Plotly (@​mattmcdermott, #2233)

• Update NOMAD access in MPRester (@​wuxiaohua1011, #1958)

• General improvements to Phase Diagram code (@​CompyRhys, #2263, #2264, #2268)

• Improve appearance of periodic table heatmap (@​penicillin0, #2272)

• Small improvements to battery classes (@​jmmshn, #2262)

• Fix for Composition.chemical_system to match expected behaviour for compositions with oxidation states (@​CompRhys, #2249)

• Fix for bad param in OPTIMADE reponse fields (@​ml-evs, #2244)

• Fix for issue in parsing bandOverlaps.lobster file (@​pzarabadip, #2237)

• Fix for Moladaptor (@​orioncohen, #2269)

• Fix for incorrect Potcar hash warnings (@​mkhorton, #2273)

• Type hint and correct documentation of Structure.remove_site_properties (@​kmu, #2256)

• Type hint improvements across pymatgen (@​janosh, #2241, #2247, #2261)

• Add pymatgen-io-fleur addon to addons page (@​janssenhenning, #2232)

Commits

• 71c8ab8 Merge pull request #2276 from materialsproject/simplex
• 7899caf Improve guard statement
• 5109596 Update version and changelog
• 8616ea5 Try a different approach for el_refs
• 9fd9827 Add to_json() tests
• 42510d5 Cannot serialize dictionaries with Element keys [...]
• f8b3431 Revert "Merge pull request #2239 from ltalirz/speedup-cutoff-dict"
• e0e8de4 Make Simplex MSONable
• 2dd3a9f Update docs
• fcb84a1 Update changelog
• Additional commits viewable in compare view

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[coveralls]

Pull Request Test Coverage Report for Build 1381765925

• 0 of 0 changed or added relevant lines in 0 files are covered.
• No unchanged relevant lines lost coverage.
• Overall coverage remained the same at 69.771%

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Totals
Change from base Build 1380842176:	0.0%
Covered Lines:	11409
Relevant Lines:	16352

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💛 - Coveralls

[jan-janssen]

@dependabot rebase