v0.4.6

DFTK v0.4.6

Diff since v0.4.5

Closed issues:

• Use symmetrization for forces (#515)

Merged pull requests:

• Replace @timing_seq by thread-local timers (#574) (@mfherbst)
• Optimization to density building (#575) (@antoine-levitt)
• Cleanup Chi0Mixing docstrings and timings (#576) (@mfherbst)
• Symop refactoring (#577) (@antoine-levitt)
• Fix type in periodic problems guide (#580) (@epolack)
• AtomicNonlocal Zygote compatibility (#581) (@mtowara)
• Show function for kpoints (#582) (@antoine-levitt)
• Proper integration of SCF with ForwardDiff (#583) (@mfherbst)
• Schur complement in Sternheimer solver (#584) (@gkemlin)
• Selection from zoo of PBE functionals (#586) (@mfherbst)
• Use symmetrization in density construction (#589) (@antoine-levitt)
• Remove a forwarddiff workaround (#590) (@antoine-levitt)
• Fix threading (#592) (@antoine-levitt)
• Fix formula to match comment (#594) (@epolack)
• Symmetrize forces (#596) (@antoine-levitt)
• Simplify the erfc cutoff in ewald (#597) (@antoine-levitt)
• Support for multiple partials in ForwardDiff SCF (#599) (@niklasschmitz)
• Using pseudo-inverse for one- and two-dimensional cells (#601) (@epolack)
• Fix stress symmetrization (#603) (@antoine-levitt)
• Add explicit error if SCF is used with no kinetic term (#604) (@epolack)