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Published September 22, 2020 | Version v0.1.9
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JuliaMolSim/DFTK.jl: v0.1.9

  • 1. CERMICS, École des Ponts ParisTech

Description

DFTK v0.1.9

Diff since v0.1.8

Closed issues:

  • Use spglib from BinaryBuilder (#202)
  • Band plot does not display in the docs (#295)
  • Error when Moving Atoms to Specific Distances From Eachother (#299)
  • Having Trouble Creating a Hydrogen Model with spin_polarization :collinear or :full (#301)

Merged pull requests:

  • time per SCF step (#284) (@antoine-levitt)
  • Refactor chi0 computation (#285) (@mfherbst)
  • CompatHelper: bump compat for "Optim" to "1.0" (#302) (@github-actions[bot])
  • Speedup forces evaluation (#303) (@antoine-levitt)
  • Renames to bring in line with paper and interval-related fixes (#305) (@mfherbst)
  • Simplify travis (#306) (@mfherbst)

Files

JuliaMolSim/DFTK.jl-v0.1.9.zip

Files (406.8 kB)

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