Published November 23, 2022
| Version v0.5.15
Software
Open
DFTK: The Density-functional toolkit
Authors/Creators
- 1. RWTH Aachen University
- 2. Inria Paris
- 3. CERMICS, Ecole des Ponts
Description
DFTK v0.5.15
Closed issues:
- Serialisation test fails (#782)
Merged pull requests:
- Make some computations in DFTK GPU-compatible (#712) (@GVigne)
- Transfer phonon (#760) (@epolack)
- Expand ForwardDiff support to LocalNonlinearity parameters (#779) (@niklasschmitz)
- Bugfix for UPF (#781) (@epolack)
- Specialisation for transfer along identical lattices (#783) (@epolack)
- Printing fixes (#785) (@mfherbst)
- Improve DOS plotting default axes ranges (#786) (@mfherbst)
- Fix damping solver (#788) (@GVigne)
Notes
Cite this paper whenever you use DFTK.
Files
JuliaMolSim/DFTK.jl-v0.5.15.zip
Files
(850.9 kB)
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Additional details
Related works
- Is supplement to
- https://github.com/JuliaMolSim/DFTK.jl/tree/v0.5.15 (URL)