Published July 8, 2022
| Version v0.5.4
Software
Open
JuliaMolSim/DFTK.jl: v0.5.4
Creators
- Michael F. Herbst1
- Antoine Levitt2
- Niklas Schmitz
- Gaspard Kemlin
- Étienne Polack3
- Chuin Wei Tan
- Jae-Mo Lihm4
- ssirajdine
- Jeremiah DeGreeff
- Anant Thazhemadam5
- Austin Zadoks
- Deeptendu Santra
- Eric Berquist6
- Gabriel Birnbaum7
- cyborg1995
- Harmen Stoppels
- Harry LaBollita8
- Kevin Octavian
- Laurent Vidal
- Louis Ponet
- tzsuzsi
- 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. Substack
- 8. Arizona State University
Description
DFTK v0.5.4
Closed issues:
- How to set up models (#666)
- Stronger type annotations for model construction (#668)
- Get rid of lowpass_for_symmetry! (#672)
- Don't hardcode ylims in band structure (#674)
- MPI error with redirect_stdout() (#681)
Merged pull requests:
- Handling complex numbers for PairwisePotential (#655) (@epolack)
- Add more type annotations to model constructors (#670) (@mfherbst)
- Performance optimizations (#671) (@antoine-levitt)
- Handling of extra bands in response calculations (#679) (@gkemlin)
- Store G_vectors and r_vectors in the basis (#680) (@antoine-levitt)
Files
JuliaMolSim/DFTK.jl-v0.5.4.zip
Files
(624.9 kB)
| Name | Size | Download all |
|---|---|---|
|
md5:fabf630d90fac0d569f74abce2b53000
|
624.9 kB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/JuliaMolSim/DFTK.jl/tree/v0.5.4 (URL)