DFTK: The Density-functional toolkit

DFTK v0.7.22

Diff since v0.7.21

Merged pull requests:

• Port AtomicLocal integration to GPU (#1163) (@abussy)
• Faster doc building by decoupling Literate.jl and Documenter.jl (#1208) (@nathanaelbosch)
• Screened Coulomb and range-separated hybrid functionals (#1223) (@toschaefer)
• Optimize response for GPUs (#1237) (@abussy)
• Consistent used of basis.comm_kpts (#1241) (@abussy)
• Extend MPI tests to ForwardDiff (#1248) (@abussy)
• Add dependency citations and reorganize documentation into separate pages (#1253) (@Copilot)
• Fix equation typo in math tutorial (#1256) (@niklasschmitz)
• Fix typos in self_consistent_field docs (#1257) (@CamilleH5)
• Use AD to compute xc kernels (#1259) (@Technici4n)
• Fix architecture(x::AbstractArray) function (#1260) (@abussy)
• First minimal exact exchange and Hartree-Fock (#1261) (@mfherbst)
• Add interface and tests for hybrid functionals (#1263) (@mfherbst)
• Optimize Ω+K a little (#1266) (@Technici4n)
• CompatHelper: bump compat for PseudoPotentialData to 0.3, (keep existing compat) (#1267) (@github-actions[bot])
• solve_ΩplusK: Fix printing only on the master rank (#1268) (@Technici4n)
• Remove dependency on Polynomials package (#1269) (@mfherbst)
• Derivative support in mgga and mggal potential computations (#1271) (@Technici4n)
• Bump actions/upload-artifact from 6 to 7 (#1274) (@dependabot[bot])
• Warm-start Sternheimer CG from non-interacting solution (#1276) (@Copilot)
• Fix tests failing with TestItemRunner.run_tests (#1279) (@abussy)
• Make ACE approximation a numerical algorithm not a model parameter (#1280) (@mfherbst)
• Bump julia-actions/cache from 2 to 3 (#1281) (@dependabot[bot])
• Add julia version guards for GPU precompilation (#1283) (@abussy)
• Add exact exchange example to the docs (#1284) (@mfherbst)

Closed issues:

• Implement PSP8 Pseudopotential format (#2)
• Perform Delta test using DFTK (#193)
• DFT+U (#329)
• Document how to build docs locally (#379)
• Possible grid issue with numerical pseudopotentials (#761)
• Citations to Libxc missing (#1252)
• load_atoms / load_lattice from ASE example fails in notebooks: UndefVarError: load_atoms not defined in AtomsBase (#1254)
• Sternheimer CG should use a better starting point than zero (#1275)