JuliaMolSim/DFTK.jl: v0.5.1

DFTK v0.5.1 Diff since v0.5.0 Closed issues: Pretty traces (#123) Define and use cis2pi (#400) Direct minimization with Double64 does not work (#428) Investigate forces test failure (#625) Help Needed (#649) Merged pull requests: Remove dead and unused code (#634) (@mfherbst) Remove deprecation wrappers (#635) (@mfherbst) Zygote scf (#636) (@mtowara) Use chemical_formula function from AtomsBase (#639) (@mfherbst) Simplify pwbasis constructors (#640) (@antoine-levitt) Add and use cis2pi functions (#641) (@kvnoct) Filter rgrid symmetries (#642) (@antoine-levitt) Zygote scf (#644) (@mtowara) Integrate with InteratomicPotentials.jl (#645) (@jrdegreeff) CompatHelper: bump compat for Roots to 2, (keep existing compat) (#646) (@github-actions[bot]) Test consistency of local potential in both real and Fourier space (#647) (@antoine-levitt) Using Cartesian routine (#648) (@epolack) update support for InteratomicPotentials v0.2 (#654) (@jrdegreeff