Published March 22, 2023
| Version v0.6.5
Software
Open
DFTK: The Density-functional toolkit
- 1. RWTH Aachen University
- 2. Inria Paris
- 3. CERMICS, Ecole des Ponts
Description
DFTK v0.6.5
Closed issues:
- Support ARM / aarch64 / "Apple silicon" M-series processors (#820)
- Julia Nightly tests failing (#826)
- Usage Support: Adding DFTK.jl to Matsci Discourse Community (#833)
Merged pull requests:
- Non-linear core correction and pseudopotential density guess (#766) (@azadoks)
- Fixing some documentation layouts & duplicate (#815) (@epolack)
- Model update constructor (#816) (@mfherbst)
- MPI Allreduce fallbacks for aarch64 support (#821) (@azadoks)
- Fix fast test execution (#827) (@epolack)
- Fix Hamiltonian application for nonstandard models (#829) (@antoine-levitt)
- Bump actions/checkout from 2 to 3 (#830) (@dependabot[bot])
- Bump codecov/codecov-action from 2 to 3 (#831) (@dependabot[bot])
- Fixing documentation links (#832) (@epolack)
- Update introductory resources and publications (#834) (@mfherbst)
Notes
Cite this paper whenever you use DFTK.
Files
JuliaMolSim/DFTK.jl-v0.6.5.zip
Files
(890.2 kB)
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Additional details
Related works
- Is supplement to
- https://github.com/JuliaMolSim/DFTK.jl/tree/v0.6.5 (URL)