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Docs update, forcefield elastic convenience maker, forcefield enum hydration #1072

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merged 6 commits into from
Nov 26, 2024

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esoteric-ephemera
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Three smaller changes:

  • Update VASP EOS section of the docs to explain the makers / sets there, close issue #1071
  • Add a convenience constructor method, from_force_field_name to ElasticMaker as suggested by @utf in #999
  • Allow the forcefield name enum MLFF to permit str(MLFF.<member>) as valid input. This should hopefully resolve some issues noted by @tjaffrel when running forcefield jobs from fireworks

@JaGeo
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JaGeo commented Nov 26, 2024

@esoteric-ephemera anything else to add? If not, i am going to merge.

@esoteric-ephemera
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Should be ready to merge, thanks @JaGeo!

@JaGeo JaGeo merged commit 6349766 into materialsproject:main Nov 26, 2024
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JaGeo commented Nov 26, 2024

@esoteric-ephemera thank you so much!

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