Published March 13, 2021
| Version v0.2.7
Software
Open
JuliaMolSim/DFTK.jl: v0.2.7
Creators
- 1. ACoM, RWTH Aachen University
- 2. Q-Chem
Description
DFTK v0.2.7
Closed issues:
- Integrate with Xtals.jl (#389)
- dVol as a field (#414)
- Pymatgen namespaces change v2022.0.0 (#418)
Merged pull requests:
- Do a Rayleigh-Ritz at the end of direct minimization (#411) (@antoine-levitt)
- Fix GGA non-spin-polarised XC kernel (#412) (@mfherbst)
- Replace ForwardDiff by manual forces (#415) (@niklasschmitz)
- CompatHelper: bump compat for "Polynomials" to "2.0" (#416) (@github-actions[bot])
- Suppress conditional package load warnings (#419) (@mfherbst)
Files
JuliaMolSim/DFTK.jl-v0.2.7.zip
Files
(563.4 kB)
Name | Size | Download all |
---|---|---|
md5:a18a77c6d43b8dbf1c74ad172c1998b8
|
563.4 kB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/JuliaMolSim/DFTK.jl/tree/v0.2.7 (URL)