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Tags: epfl-matmat/AiidaDFTK.jl

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v0.2.0

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[Diff since v0.1.9](v0.1.9...v0.2.0)

- Changes to the input file format wrt. pseudopotentials.
- Update to DFTK 0.7.6.
- Exports were removed.

- Logging file with error messages that can be parsed to detect success and failure.

**Merged pull requests:**
- Bump codecov/codecov-action from 4 to 5 (#22) (@dependabot[bot])
- Add errors file and version check support (#23) (@Technici4n)
- Run CI against pre instead of nightly (#24) (@Technici4n)
- Add LocalPreferences to .gitignore (#25) (@Technici4n)
- Update to DFTK 0.7.6 (#28) (@Technici4n)

v0.1.9

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[Diff since v0.1.8](v0.1.8...v0.1.9)

**Merged pull requests:**
- Print logs to stdout instead of a log file (#21) (@Technici4n)

v0.1.8

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[Diff since v0.1.7](v0.1.7...v0.1.8)

**Merged pull requests:**
- Remove compute_stresses_cart precompilation to fix ForwardDiff Dual tag ordering problems (#17) (@Technici4n)
- Use JLD2 instead of HDF5 to avoid linking issues with libhdf5 (#18) (@Technici4n)
- Don't modify preferences automatically (#19) (@Technici4n)

v0.1.7

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[Diff since v0.1.6](v0.1.6...v0.1.7)

**Merged pull requests:**
- Bump codecov/codecov-action from 3 to 4 (#10) (@dependabot[bot])
- Bump julia-actions/setup-julia from 1 to 2 (#11) (@dependabot[bot])
- Bump julia-actions/cache from 1 to 2 (#13) (@dependabot[bot])
- Precompilation and maxtime flag (#14) (@mfherbst)

v0.1.6

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[Diff since v0.1.5](v0.1.5...v0.1.6)

**Merged pull requests:**
- Extend docs (#8) (@mfherbst)

**Closed issues:**
- Documentation about Julia setup (#2)

v0.1.5

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[Diff since v0.1.4](v0.1.4...v0.1.5)

**Merged pull requests:**
- Proper checkpointing (#7) (@mfherbst)

v0.1.4

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[Diff since v0.1.3](v0.1.3...v0.1.4)

**Merged pull requests:**
- Add PspUpf rcut to build_system (#6) (@WuyihanVictor)

v0.1.3

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[Diff since v0.1.2](v0.1.2...v0.1.3)

**Merged pull requests:**
- Add in interpolation feature for kwargs parsing (#5) (@mfherbst)

v0.1.2

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[Diff since v0.1.1](v0.1.1...v0.1.2)

**Merged pull requests:**
- Hack for faster dumps on mpi-parallelised runs (#4) (@mfherbst)

v0.1.1

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**Merged pull requests:**

- Automatic threading setup (#1) (@mfherbst)