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Published November 4, 2020 | Version v0.1.15
Software Open

JuliaMolSim/DFTK.jl: v0.1.15

Creators

  • 1. CERMICS, École des Ponts ParisTech

Description

DFTK v0.1.15

Diff since v0.1.14

Closed issues:

  • HPC (#90)
  • Extend collinear spin support (#321)
  • Homogenize div (#346)

Merged pull requests:

  • Recode banddata preparation in Julia (#343) (@mfherbst)
  • A few small fixes and improvements (#344) (@mfherbst)
  • Swap installation order (#345) (@mfherbst)
  • MPI for distribution over k-Points (#347) (@antoine-levitt)
  • Optimize and parallelize density computation (#352) (@antoine-levitt)
  • More detailed installation instructions (#353) (@mfherbst)
  • Avoid some more allocations in Hamiltonian apply (#354) (@antoine-levitt)

Files

JuliaMolSim/DFTK.jl-v0.1.15.zip

Files (458.7 kB)

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Additional details

Related works

Is supplement to
https://github.com/JuliaMolSim/DFTK.jl/tree/v0.1.15 (URL)