v0.5.5

QuantumESPRESSOParser v0.5.5

Diff since v0.5.4

v0.5.4

QuantumESPRESSOParser v0.5.4

Diff since v0.5.3

v0.5.3

QuantumESPRESSOParser v0.5.3

Diff since v0.5.2

Merged pull requests:

• Modify each.jl to use parse instead of tryparse in the iterate function for EachParsed (#125) (@singularitti)

v0.5.2

QuantumESPRESSOParser v0.5.2

Diff since v0.5.1

Merged pull requests:

• Implement force parsers (#124) (@singularitti)

v0.5.1

QuantumESPRESSOParser v0.5.1

Diff since v0.5.0

Merged pull requests:

• Fix a bug in parse for ConvergedEnergy (#121) (@singularitti)
• Extend each_energy_by_step in ext/DataFramesExt.jl (#122) (@singularitti)
• Fix regex CELL_PARAMETERS to work both in input & output (#123) (@singularitti)

v0.5.0

QuantumESPRESSOParser v0.5.0

Diff since v0.4.0

Merged pull requests:

• Bump actions/checkout from 3 to 4 (#107) (@dependabot[bot])
• Bump codecov/codecov-action from 3 to 4 (#108) (@dependabot[bot])
• Fix imports of ReciprocalPoint to SpecialPoint (#109) (@singularitti)
• CompatHelper: add new compat entry for CrystallographyBase at version 0.14, (keep existing compat) (#110) (@github-actions[bot])
• Change option from strings to symbols (#111) (@singularitti)
• Remove Parameters.jl from deps (#112) (@singularitti)
• CompatHelper: bump compat for QuantumESPRESSOBase to 0.12, (keep existing compat) (#113) (@github-actions[bot])
• Deprecate parse_clock, use parse(TimedItem) (#114) (@singularitti)
• Refactor struct definitions to inherit from PWOutputParameter (#115) (@singularitti)
• Deprecate _iterationwise! (#116) (@singularitti)
• Deprecate parse_all_electron_energy, parse_energy_decomposition, parse_paw_contribution, & parse_smearing_energy (#117) (@singularitti)
• Remove DataFrames.jl from deps (#118) (@singularitti)
• Add iterator type EachParsed & iteration interface (#119) (@singularitti)
• Deprecate parsefinal & REGEXOF (#120) (@singularitti)

v0.4.0

QuantumESPRESSOParser v0.4.0

Diff since v0.3.13

Merged pull requests:

• CompatHelper: bump compat for QuantumESPRESSOBase to 0.11, (keep existing compat) (#105) (@github-actions[bot])
• CompatHelper: bump compat for AbInitioSoftwareBase to 0.10, (keep existing compat) (#106) (@github-actions[bot])

v0.3.13

QuantumESPRESSOParser v0.3.13

Diff since v0.3.12

Merged pull requests:

• CompatHelper: bump compat for QuantumESPRESSOBase to 0.10, (keep existing compat) (#102) (@github-actions[bot])
• Deprecate Inputs module in docs, Move inner modules like PWscf & PHonon out (#103) (@singularitti)
• Distinguish regexes for input & output (#104) (@singularitti)

v0.3.12

QuantumESPRESSOParser v0.3.12

Diff since v0.3.11

Merged pull requests:

• CompatHelper: bump compat for QuantumESPRESSOBase to 0.9, (keep existing compat) (#101) (@github-actions[bot])

v0.3.11

QuantumESPRESSOParser v0.3.11

Diff since v0.3.10

Closed issues:

• Request feature: supporting larger output files (#97)

Merged pull requests:

• Bump actions/stale from 5 to 6 (#95) (@dependabot[bot])
• Bump actions/stale from 6 to 7 (#98) (@dependabot[bot])
• CompatHelper: bump compat for Crystallography to 0.6, (keep existing compat) (#99) (@github-actions[bot])
• CompatHelper: bump compat for QuantumESPRESSOBase to 0.8, (keep existing compat) (#100) (@github-actions[bot])