Published October 10, 2025
| Version v0.7.18
Software
Open
DFTK: The Density-functional toolkit
- 1. École Polytechnique Fédérale de Lausanne
- 2. IMO, Université Paris-Saclay
- 3. CERMICS, École des Ponts
Description
DFTK v0.7.18
Merged pull requests:
- Fix DFPT wrt temperature (#1156) (@antoine-levitt)
- Disable AMDGPU precompilation if !functional (#1159) (@Technici4n)
- Add AD-DFPT elastic constants example (#1162) (@niklasschmitz)
- Document TDD workflow and cleanup testing docs (#1165) (@Technici4n)
- Fix DivideAndConquer in Julia 1.12 (#1166) (@Technici4n)
- Change diff wrt temperature test (#1167) (@antoine-levitt)
Closed issues:
- ForwardDiff with temperature does not work (#1155)
Notes
Cite this paper whenever you use DFTK.
Files
JuliaMolSim/DFTK.jl-v0.7.18.zip
Files
(2.8 MB)
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Additional details
Related works
- Is supplement to
- Software: https://github.com/JuliaMolSim/DFTK.jl/tree/v0.7.18 (URL)
Software
- Repository URL
- https://github.com/JuliaMolSim/DFTK.jl