There is a newer version of the record available.

Published June 1, 2022 | Version v0.5.2
Software Open

JuliaMolSim/DFTK.jl: v0.5.2

Creators

  • 1. @ACoM-Computational-Mathematics, RWTH Aachen University
  • 2. Inria Paris
  • 3. École des Ponts & Inria
  • 4. Seoul National University
  • 5. @JuliaComputing
  • 6. Q-Chem
  • 7. Arizona State University

Description

DFTK v0.5.2

Diff since v0.5.1

Closed issues:

  • Fix forwarddiff with symmetries (#643)
  • Tolerance issue when using ForwardDiff (#651)

Merged pull requests:

  • Forwarddiff for metals (#638) (@mfherbst)
  • Fix cart (#657) (@epolack)
  • Forward-diff support for pseudo parameters (#658) (@mfherbst)

Files

JuliaMolSim/DFTK.jl-v0.5.2.zip

Files (620.6 kB)

Name Size Download all
md5:58a403105596ded00cc4f0a3b178c543
620.6 kB Preview Download

Additional details

Related works

Is supplement to
https://github.com/JuliaMolSim/DFTK.jl/tree/v0.5.2 (URL)