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Published October 23, 2020 | Version v0.1.14
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JuliaMolSim/DFTK.jl: v0.1.14

Authors/Creators

  • 1. CERMICS, École des Ponts ParisTech

Description

DFTK v0.1.14

Diff since v0.1.13

Merged pull requests:

  • Extend apply_chi0 and compute_chi0 to collinear spin (#333) (@mfherbst)
  • A bunch of bugfixes in SCF and band plots (#334) (@mfherbst)
  • Refactor mixing to take ρtot and ρspin (#336) (@mfherbst)
  • CompatHelper: bump compat for "Interpolations" to "0.13" (#337) (@github-actions[bot])
  • Extend SCF compare to temperature and spin (#338) (@mfherbst)
  • Expand Kerker and Hybrid mixing to collinear spin (#339) (@mfherbst)
  • Convert magnetic moments to ASE and back (#340) (@mfherbst)
  • Refactor chi0 models out of HybridMixing (#341) (@mfherbst)
  • Read data from files using ASE (#342) (@mfherbst)

Files

JuliaMolSim/DFTK.jl-v0.1.14.zip

Files (454.0 kB)

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Additional details

Related works

Is supplement to
https://github.com/JuliaMolSim/DFTK.jl/tree/v0.1.14 (URL)