Published December 11, 2020
| Version v0.2.3
Software
Open
JuliaMolSim/DFTK.jl: v0.2.3
- 1. CERMICS, École des Ponts ParisTech
- 2. Q-Chem
Description
DFTK v0.2.3
Closed issues:
- Integrate with unitful in key constructors (#297)
- Reduced supersampling can lead to
Input array not real
(#351) - Add backref to basis from kpoint (#384)
Merged pull requests:
- Use Unitful in key constructors (#331) (@berquist)
- Lowpass density for symmetry (#364) (@antoine-levitt)
- Make pwbasis constructor less of a mess (hopefully) (#386) (@antoine-levitt)
- CompatHelper: bump compat for "LinearMaps" to "3.0" (#390) (@github-actions[bot])
Files
JuliaMolSim/DFTK.jl-v0.2.3.zip
Files
(557.9 kB)
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Additional details
Related works
- Is supplement to
- https://github.com/JuliaMolSim/DFTK.jl/tree/v0.2.3 (URL)