DFTK: The Density-functional toolkit

DFTK v0.7.26

Diff since v0.7.25

Merged pull requests:

• Optimizing XC instantiation for GPUs (#1262) (@abussy)
• [WIP] Additional exx kernels: Voxel averaged and Wigner-Seitz truncation (#1282) (@toschaefer)
• Reduce allocations in LOBPCG (#1297) (@abussy)
• Support meta-GGA NLCC (#1304) (@Technici4n)
• Bump julia-actions/setup-julia from 2 to 3 (#1309) (@dependabot[bot])
• Safe GPU-aware MPI communication (#1313) (@abussy)
• Add a CONTRIBUTING.md guide (and an example on the README) (#1315) (@antoine-levitt)
• Add breaks_TRS term predicate and guard compute_dynmat (#1316) (@antoine-levitt)
• Fix differentiation of nonlocal projectors at p=0 by switching to solid harmonics (#1318) (@Technici4n)
• Bump codecov/codecov-action from 6 to 7 (#1320) (@dependabot[bot])
• Improve SCF for meta-GGA methods (#1321) (@mfherbst)
• Remove Hermitian norm dispatch (#1323) (@abussy)
• Improve meta-GGA stability in SCF (#1327) (@mfherbst)
• Remove redundant hankel dispatch (#1328) (@abussy)
• fix code-block backgrounds in dark themes (#1329) (@aouinaayoub)
• Bump actions/checkout from 6 to 7 (#1330) (@dependabot[bot])
• Attempt to fix documentation (#1331) (@mfherbst)
• Symmetrize forces in DFTKCalculator (#1333) (@Technici4n)
• Expand the AGENTS.md contributor/AI guide (#1339) (@antoine-levitt)
• Fix comment on unit cell convention (#1344) (@niklasschmitz)
• Fix flaky iron_LDA test by tightening SCF tolerance in density (#1345) (@niklasschmitz)
• Rho-only and rho-tau-meta GGA SCF algorithms (#1347) (@mfherbst)
• A couple of drive-by (mostly phonon-related) GPU fixes (#1348) (@antoine-levitt)
• Fix flaky anderson test (#1351) (@mfherbst)
• Fixes for empty arrays (#1352) (@antoine-levitt)

Closed issues:

• Proposal to replace direct_minimization and switch to Manopt solvers (#1102)
• NLCC and meta-GGA: bad combination and thoughts to fix it (#1180)
• Phonon +q instead of -q? (#1310)
• Remove negative ρcore warnings (#1324)
• ene_ops() for the XC term error in my DFTK v0.7.25. (#1337)
• Phonon tests broken (#1350)