v0.4.4
DFTK v0.4.4
Closed issues:
- Error showing basis without kshift (#554)
Merged pull requests:
- Turn generators into arrays (#556) (@antoine-levitt)
- Implement Marzari-Vanderbilt-DeVita-Payne (cold) smearing (#557) (@azadoks)
- Fix typo (#559) (@haampie)
- new example using AD to compute error bounds for forces (#561) (@gkemlin)
- [WIP] Zygote SCF (#563) (@niklasschmitz)
- Generalize PowerNonlinearity to LocalNonlinearity (#564) (@antoine-levitt)
- Simplify xc fallbacks, allow second derivatives, remove codegen (#565) (@antoine-levitt)
- Reformulate readme (#566) (@mfherbst)