Published June 3, 2021
| Version v0.3.0
Software
Open
JuliaMolSim/DFTK.jl: v0.3.0
Authors/Creators
- 1. @ACoM-Computational-Mathematics, RWTH Aachen University
- 2. Q-Chem
Description
DFTK v0.3.0
Closed issues:
- Remove using GenericLinearAlgebra warning when GenericLinearAlgebra is already defined (#429)
- Documentation for spin not up to date (#436)
Merged pull requests:
- Remove RealFourierArray and refactor internal density datastructures (#413) (@antoine-levitt)
- Refactor damping out of mixing datastructures (#426) (@mfherbst)
- Remove remaining from_fourier (#427) (@gkemlin)
- Remove using GenericLinearAlgebra warning when GenericLinearAlgebra is already defined (#430) (@mfherbst)
- CompatHelper: bump compat for "MPI" to "0.18" (#432) (@github-actions[bot])
- Add RWTH Aachen funding (#435) (@mfherbst)
- Extra forces test for magnetic ground state (#437) (@mfherbst)
Files
JuliaMolSim/DFTK.jl-v0.3.0.zip
Files
(562.9 kB)
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Additional details
Related works
- Is supplement to
- https://github.com/JuliaMolSim/DFTK.jl/tree/v0.3.0 (URL)