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Published February 1, 2021 | Version v0.2.6
Software Open

JuliaMolSim/DFTK.jl: v0.2.6

Creators

  • 1. CERMICS, École des Ponts ParisTech
  • 2. Q-Chem

Description

DFTK v0.2.6

Diff since v0.2.5

Closed issues:

  • Support VTK output (#147)

Merged pull requests:

  • Write SCF results to VTK files (#392) (@Dsantra92)
  • Support saving results for MPI-parallelised runs (#410) (@mfherbst)

Files

JuliaMolSim/DFTK.jl-v0.2.6.zip

Files (562.9 kB)

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md5:69a2d8a2046858da4a096e267dfcef6d
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Additional details

Related works

Is supplement to
https://github.com/JuliaMolSim/DFTK.jl/tree/v0.2.6 (URL)