There is a newer version of the record available.

Published March 31, 2023 | Version v0.6.6
Software Open

DFTK: The Density-functional toolkit

Creators

  • 1. RWTH Aachen University
  • 2. Inria Paris
  • 3. CERMICS, Ecole des Ponts

Description

DFTK v0.6.6

Diff since v0.6.5

Merged pull requests:

  • Need to depend on AtomsIOPython in tests (#838) (@mfherbst)
  • More graceful numerical checks (#839) (@mfherbst)

Notes

Cite this paper whenever you use DFTK.

Files

JuliaMolSim/DFTK.jl-v0.6.6.zip

Files (890.9 kB)

Name Size Download all
md5:ce7cb968ca0addac52ae98f09e422b77
890.9 kB Preview Download

Additional details

Related works

Is supplement to
https://github.com/JuliaMolSim/DFTK.jl/tree/v0.6.6 (URL)