Published December 2, 2021
| Version v0.4.2
Software
Open
JuliaMolSim/DFTK.jl: v0.4.2
Creators
- 1. @ACoM-Computational-Mathematics, RWTH Aachen University
- 2. Inria Paris
- 3. Seoul National University
- 4. @JuliaComputing
- 5. Q-Chem
- 6. Arizona State University
Description
DFTK v0.4.2
Closed issues:
- Magnetic fields in Package features. (#544)
- Atomic positions in cartesian coordinates (#546)
Merged pull requests:
- First steps towards an interface to wannier90 (#518) (@LaurentVidal95)
- Fixed minor issues in periodic_problems tutorial (#541) (@cw-tan)
- Kinetic Energy Density function (#543) (@cw-tan)
- Change magnetic field wording in docs (#545) (@mfherbst)
- CompatHelper: bump compat for SpecialFunctions to 2, (keep existing compat) (#547) (@github-actions[bot])
- Docfix: Math rendering for guess_density (#548) (@niklasschmitz)
- Add basic routine for wannier plotting (#549) (@mfherbst)
Files
JuliaMolSim/DFTK.jl-v0.4.2.zip
Files
(611.7 kB)
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Additional details
Related works
- Is supplement to
- https://github.com/JuliaMolSim/DFTK.jl/tree/v0.4.2 (URL)