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v22.05.0b0

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@github-actions github-actions released this 22 May 16:10
· 131 commits to main since this release

What's Changed

  • Fix/bands kpoints by @unkcpz in #93
  • Fix npool=1 for atomic scf of cohesive energy evaluation by @unkcpz in #98
  • Cif renew of typical set by @unkcpz in #99
  • Drop running delta on unaries for lanthanides by @unkcpz in #100
  • In residual volume evaluation the b0 unit need to be GPa by @unkcpz in #102
  • Correct absulute unit of cohesive energy convergence output by @unkcpz in #103
  • Using typical configurations all for convergence by @unkcpz in #105
  • propagate birch manaurghan fit failed status to eos by @unkcpz in #107
  • caching workflow: refactoring the _base logic and inputs parameters format by @unkcpz in #109
  • Rename protocol name theos to acwf by @unkcpz in #113
  • cleanup logger level and remove terminated clean for for evaluate workflow by @unkcpz in #114
  • Ph calculation sure the remote path is there by @unkcpz in #115
  • Add ref_check cutoff control protocol for 200vs300 calculation by @unkcpz in #118
  • nitrides for delta measure of lanthanides by @unkcpz in #121
  • First wfc cutoff test with fix dual by @unkcpz in #122
  • Able to set wavefunction cutoff and skip to rho test only by @unkcpz in #123
  • ♻️ Refactoring: using expose inputs to simplify all workflows by @unkcpz in #125
  • Set dual depend on elements and confs in delta and bands measure by @unkcpz in #127

Full Changelog: v22.04.0a0...v22.05.0b0