Published September 22, 2020
| Version v0.1.9
Software
Open
JuliaMolSim/DFTK.jl: v0.1.9
Authors/Creators
- 1. CERMICS, École des Ponts ParisTech
Description
DFTK v0.1.9
Closed issues:
- Use spglib from BinaryBuilder (#202)
- Band plot does not display in the docs (#295)
- Error when Moving Atoms to Specific Distances From Eachother (#299)
- Having Trouble Creating a Hydrogen Model with spin_polarization :collinear or :full (#301)
Merged pull requests:
- time per SCF step (#284) (@antoine-levitt)
- Refactor chi0 computation (#285) (@mfherbst)
- CompatHelper: bump compat for "Optim" to "1.0" (#302) (@github-actions[bot])
- Speedup forces evaluation (#303) (@antoine-levitt)
- Renames to bring in line with paper and interval-related fixes (#305) (@mfherbst)
- Simplify travis (#306) (@mfherbst)
Files
JuliaMolSim/DFTK.jl-v0.1.9.zip
Files
(406.8 kB)
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Additional details
Related works
- Is supplement to
- https://github.com/JuliaMolSim/DFTK.jl/tree/v0.1.9 (URL)