Tags

## DFTK v0.1.6

[Diff since v0.1.5](https://github.com/JuliaMolSim/DFTK.jl/compare/v0.1.5...v0.1.6)



**Merged pull requests:**
- Add nonvariatonal methods and total field for energies (#268) (@antoine-levitt)
- More helpful messages in occupation (#269) (@mfherbst)
- CompatHelper: bump compat for "Optim" to "0.22" (#270) (@github-actions[bot])
- Polish SCF printing and automatic diagtol selection (#271) (@mfherbst)
- Implement HybridMixing (#272) (@mfherbst)
- Bugfix: apply_kernel without functionals (#273) (@mfherbst)
- Various small amendments (SCF printing, GGA functionals, mixing) (#275) (@mfherbst)
- Some more reasonable defaults for number of bands and kgrids (#276) (@mfherbst)
- Add example about SCF callbacks (#277) (@mfherbst)
- Adding H2 geometry optimzation example (#278) (@gkemlin)
- Correct for subtle numerical issue when finding Fermi level (#279) (@mfherbst)

## DFTK v0.1.5

[Diff since v0.1.4](https://github.com/JuliaMolSim/DFTK.jl/compare/v0.1.4...v0.1.5)



**Merged pull requests:**
- Move to spglib_jll (#265) (@louisponet)
- Add hamiltonian_with_total_potential function (#267) (@antoine-levitt)

## DFTK v0.1.4

[Diff since v0.1.3](https://github.com/JuliaMolSim/DFTK.jl/compare/v0.1.3...v0.1.4)



**Merged pull requests:**
- Correct type instability with atoms and other small performance improvements (#257) (@antoine-levitt)
- Tweak RestaMixing default parameters (#259) (@mfherbst)
- Small tweak with miniter (#260) (@mfherbst)
- Use floating-point numbers for k-Point coordinates (#261) (@antoine-levitt)
- CompatHelper: bump compat for "Primes" to "0.5" (#262) (@github-actions[bot])
- Unify kernel interfaces to RealFourierArrays (#263) (@mfherbst)
- Printing of SCF (#264) (@antoine-levitt)

## DFTK v0.1.3

[Diff since v0.1.2](https://github.com/JuliaMolSim/DFTK.jl/compare/v0.1.2...v0.1.3)



**Merged pull requests:**
- Iterative computation of the dielectric matrix (#221) (@antoine-levitt)
- More flexible mixing interface (#225) (@mfherbst)
- Kernel harmonization (#253) (@antoine-levitt)
- Allow to export lattice and cell to ASE atoms. (#254) (@mfherbst)
- Implement simplified Resta model (#255) (@mfherbst)
- Two changes in examples (#256) (@ssirajdine)

## DFTK v0.1.2

[Diff since v0.1.1](https://github.com/JuliaMolSim/DFTK.jl/compare/v0.1.1...v0.1.2)



**Merged pull requests:**
- Update Libxc and adapt to its new interface (#248) (@mfherbst)
- adding ElementCustomIonPotential + new GP example using it (with doc)… (#251) (@gkemlin)
- Allow to disable taking timings (#252) (@mfherbst)

## DFTK v0.1.1

[Diff since v0.1.0](https://github.com/JuliaMolSim/DFTK.jl/compare/v0.1.0...v0.1.1)



**Merged pull requests:**
- Remove part about MolSim from installation docs (#250) (@mfherbst)

## DFTK v0.1.0

[Diff since v0.0.7](https://github.com/JuliaMolSim/DFTK.jl/compare/v0.0.7...v0.1.0)



**Merged pull requests:**
- Split tutorial & misc changes (#238) (@antoine-levitt)
- Doc typos (#240) (@gkemlin)

Bump version: 0.0.6 → 0.0.7

Bump version: 0.0.5 → 0.0.6

Bump version: 0.0.4 → 0.0.5

Bump version: 0.0.3 → 0.0.4

Bump version: 0.0.2 → 0.0.3

Bump version: 0.0.1 → 0.0.2