v0.12.1

QuantumESPRESSOBase v0.12.1

Diff since v0.12.0

v0.12.0

QuantumESPRESSOBase v0.12.0

Diff since v0.11.0

Merged pull requests:

• CompatHelper: bump compat for Spglib to 0.7, (keep existing compat) (#211) (@github-actions[bot])
• CompatHelper: bump compat for CrystallographyBase to 0.11, (keep existing compat) (#212) (@github-actions[bot])
• CompatHelper: bump compat for CrystallographyBase to 0.12, (keep existing compat) (#213) (@github-actions[bot])
• CompatHelper: bump compat for Spglib to 0.8, (keep existing compat) (#214) (@github-actions[bot])
• Bump actions/checkout from 3 to 4 (#215) (@dependabot[bot])
• CompatHelper: bump compat for CrystallographyBase to 0.13, (keep existing compat) (#216) (@github-actions[bot])
• CompatHelper: bump compat for CrystallographyBase to 0.14, (keep existing compat) (#217) (@github-actions[bot])
• Redefine ReciprocalPoint to SpecialPoint (#218) (@singularitti)
• Deprecate CartesianFromFractional, use the new API (#219) (@singularitti)
• Replace Setfield.@set! with Accessors.@reset (#220) (@singularitti)
• CompatHelper: add new compat entry for Accessors at version 0.1, (keep existing compat) (#221) (@github-actions[bot])
• Move code from src/PWscf/crystallography.jl to ext/ChemicalFormulaExt.jl (#222) (@singularitti)
• Add extension StructTypesExt (#223) (@singularitti)
• Move find_symmetry from src/PWscf/crystallography.jl to ext/CrystallographyExt.jl (#224) (@singularitti)
• Fix cards (#226) (@singularitti)
• Move code to ext/UnitfulExt.jl & ext/UnitfulEquivalencesExt.jl (#227) (@singularitti)
• Make all Card's options to be Symbols, not Strings (#228) (@singularitti)
• Fix leftover option in getoption (#229) (@singularitti)
• Replace listpotentials with eachpotential, Extend eachatom (#230) (@singularitti)
• CompatHelper: add new compat entry for CrystallographyCore at version 0.5, (keep existing compat) (#231) (@github-actions[bot])
• CompatHelper: bump compat for CrystallographyCore to 0.6, (keep existing compat) (#232) (@github-actions[bot])

v0.11.0

QuantumESPRESSOBase v0.11.0

Diff since v0.10.1

Merged pull requests:

• Extend listpotentials, Deprecate module AbInitioSoftwareBase.Inputs (#210) (@singularitti)

v0.10.1

QuantumESPRESSOBase v0.10.1

Diff since v0.10.0

Merged pull requests:

• Bump peter-evans/create-pull-request from 4.2.3 to 4.2.4 (#205) (@dependabot[bot])
• Bump peter-evans/create-pull-request from 4.2.4 to 5.0.0 (#206) (@dependabot[bot])
• Bump peter-evans/create-pull-request from 5.0.0 to 5.0.1 (#207) (@dependabot[bot])
• CompatHelper: bump compat for ChemicalFormula to 0.3, (keep existing compat) (#208) (@github-actions[bot])
• Bump peter-evans/create-pull-request from 5.0.1 to 5.0.2 (#209) (@dependabot[bot])

v0.10.0

QuantumESPRESSOBase v0.10.0

Diff since v0.9.0

Merged pull requests:

• Fix PWscf module with new methods (#197) (@singularitti)
• Use UnitfulEquivalences in degauss in ElectronicTemperatureSetter (#198) (@singularitti)
• CompatHelper: add new compat entry for UnitfulEquivalences at version 0.2, (keep existing compat) (#199) (@github-actions[bot])
• Deprecate allnamelists, etc. (#200) (@singularitti)
• Add more entries to PWInput (#201) (@singularitti)
• Deprecate extending Lattice, use latticevectors (#202) (@singularitti)
• Deprecate Inputs module in docs, Move inner modules like PWscf out (#204) (@singularitti)

v0.9.0

QuantumESPRESSOBase v0.9.0

Diff since v0.8.0

Merged pull requests:

• Extend Formula for AtomicPositionsCard & PWInput (#194) (@singularitti)
• CompatHelper: add new compat entry for ChemicalFormula at version 0.2, (keep existing compat) (#195) (@github-actions[bot])
• Remove Functors.jl from deps (#196) (@singularitti)

v0.8.0

QuantumESPRESSOBase v0.8.0

Diff since v0.7.8

Merged pull requests:

• Remove Compat.jl from deps, bump compat for Julia to v1.6+ (#185) (@singularitti)
• Use StructEquality.@struct_hash_equal to replace StructHelpers.@batteries (#186) (@singularitti)
• Update template files (#187) (@singularitti)
• CompatHelper: add new compat entry for StructEquality at version 2, (keep existing compat) (#189) (@github-actions[bot])
• CompatHelper: bump compat for Crystallography to 0.6, (keep existing compat) (#190) (@github-actions[bot])
• Fix extending Cell, Ibrav, Bravais, & Lattice (#192) (@singularitti)
• CompatHelper: add new compat entry for CrystallographyBase at version 0.10, (keep existing compat) (#193) (@github-actions[bot])

v0.7.8

QuantumESPRESSOBase v0.7.8

Diff since v0.7.7

Merged pull requests:

• Bump peter-evans/create-pull-request from 4.0.4 to 4.1.1 (#176) (@dependabot[bot])
• Bump peter-evans/create-pull-request from 4.1.1 to 4.2.0 (#180) (@dependabot[bot])
• Bump peter-evans/create-pull-request from 4.2.0 to 4.2.1 (#181) (@dependabot[bot])
• Bump peter-evans/create-pull-request from 4.2.1 to 4.2.2 (#182) (@dependabot[bot])
• Bump peter-evans/create-pull-request from 4.2.2 to 4.2.3 (#183) (@dependabot[bot])
• CompatHelper: bump compat for Functors to 0.4, (keep existing compat) (#184) (@github-actions[bot])

v0.7.7

QuantumESPRESSOBase v0.7.7

Diff since v0.7.6

Merged pull requests:

• Bump peter-evans/create-pull-request from 4.0.3 to 4.0.4 (#173) (@dependabot[bot])
• CompatHelper: bump compat for Functors to 0.3, (keep existing compat) (#174) (@github-actions[bot])
• CompatHelper: bump compat for Spglib to 0.6, (keep existing compat) (#175) (@github-actions[bot])

v0.7.6

QuantumESPRESSOBase v0.7.6

Diff since v0.7.5

Merged pull requests:

• Bump peter-evans/create-pull-request from 1.9.0 to 4.0.2 (#163) (@dependabot[bot])
• Bump codecov/codecov-action from 2 to 3 (#164) (@dependabot[bot])
• Bump actions/checkout from 2 to 3 (#165) (@dependabot[bot])
• No need to call Pkg.update() before you add a package (#167) (@navidcy)
• Bump peter-evans/create-pull-request from 4.0.2 to 4.0.3 (#169) (@dependabot[bot])
• CompatHelper: bump compat for Compat to 4, (keep existing compat) (#170) (@github-actions[bot])
• CompatHelper: bump compat for Setfield to 1, (keep existing compat) (#171) (@github-actions[bot])