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settings version 2 #102

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ExpHP opened this issue Jul 10, 2019 · 0 comments
Open

settings version 2 #102

ExpHP opened this issue Jul 10, 2019 · 0 comments

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@ExpHP
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ExpHP commented Jul 10, 2019

rsp2 no longer introduces breaking changes for existing settings.yaml files (aside from the outright removal of a feature), but a version field will be added to allow breaking changes to be opted into. (all files without a version default to version: 1)

A running list of breaking changes I want to occur when version: 2 settings are introduced:

  • Remove deprecated items:
    • Deprecated names of potentials.
    • The rsp2 eigensolver. (now dense and sparse)
    • Lammps things that were moved under the lammps: heading.
  • Rename kc-z-new to kc-z, replacing the old (deprecated) kc-z.
  • threading:
      potential: true
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