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Releases: MineralsCloud/QuantumESPRESSOExpress.jl

v0.5.9

30 Nov 03:18
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QuantumESPRESSOExpress v0.5.9

Diff since v0.5.8

v0.5.8

29 Nov 12:25
a9c85e5
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QuantumESPRESSOExpress v0.5.8

Diff since v0.5.7

Merged pull requests:

  • Fix fields in examples/Ge/eos.yaml (#119) (@singularitti)
  • CompatHelper: add new compat entry for ExpressBase at version 0.2, (keep existing compat) (#120) (@github-actions[bot])
  • CompatHelper: bump compat for ExpressBase to 0.3, (keep existing compat) (#121) (@github-actions[bot])
  • Fix OutdirSetter will set nothing to outdir if an absolute path is given (#122) (@singularitti)
  • Update template files (#123) (@singularitti)
  • CompatHelper: bump compat for ExpressBase to 0.4, (keep existing compat) (#125) (@github-actions[bot])

v0.5.7

13 Jul 04:07
1939016
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QuantumESPRESSOExpress v0.5.7

Diff since v0.5.6

Merged pull requests:

  • CompatHelper: bump compat for Express to 0.9, (keep existing compat) (#118) (@github-actions[bot])

v0.5.6

08 Jul 11:19
c795643
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QuantumESPRESSOExpress v0.5.6

Diff since v0.5.5

Merged pull requests:

  • CompatHelper: bump compat for Setfield to 1, (keep existing compat) (#114) (@github-actions[bot])
  • Bump actions/setup-python from 3 to 4 (#115) (@dependabot[bot])
  • CompatHelper: bump compat for Express to 0.8, (keep existing compat) (#117) (@github-actions[bot])

v0.5.5

14 May 02:28
ecba9c7
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QuantumESPRESSOExpress v0.5.5

Diff since v0.5.4

Merged pull requests:

  • CompatHelper: bump compat for QuantumESPRESSO to 0.8, (keep existing compat) (#113) (@github-actions[bot])

v0.5.4

14 Apr 07:34
cbdde2b
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QuantumESPRESSOExpress v0.5.4

Diff since v0.5.3

Merged pull requests:

  • CompatHelper: bump compat for AbInitioSoftwareBase to 0.9, (keep existing compat) (#100) (@github-actions[bot])
  • CompatHelper: bump compat for Crystallography to 0.5, (keep existing compat) (#101) (@github-actions[bot])
  • Add some tests (#102) (@singularitti)
  • Add test/PhononWorkflow.jl (#103) (@singularitti)
  • CompatHelper: bump compat for Express to 0.7, (keep existing compat) (#104) (@github-actions[bot])
  • Some fixes (#105) (@singularitti)
  • Update template files (#106) (@singularitti)
  • Bump actions/setup-python from 2 to 3 (#108) (@dependabot[bot])
  • Bump peter-evans/create-pull-request from 2 to 4 (#109) (@dependabot[bot])
  • Bump codecov/codecov-action from 2 to 3 (#110) (@dependabot[bot])
  • Bump actions/checkout from 2 to 3 (#111) (@dependabot[bot])
  • Add more PseudodirSetters (#112) (@singularitti)

v0.5.3

10 Feb 06:13
fff47b3
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QuantumESPRESSOExpress v0.5.3

Diff since v0.5.2

Closed issues:

  • New version: v0.5.2 (#98)

Merged pull requests:

  • CompatHelper: bump compat for Crystallography to 0.4, (keep existing compat) (#99) (@github-actions[bot])

v0.5.2

18 Jan 16:27
ad41be0
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QuantumESPRESSOExpress v0.5.2

Diff since v0.5.1

Closed issues:

  • New version: v0.5.1 (#97)

v0.5.1

17 Jan 23:39
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QuantumESPRESSOExpress v0.5.1

Diff since v0.5.0

Closed issues:

  • New version: v0.5.0 (#94)

Merged pull requests:

v0.5.0

16 Jan 22:34
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QuantumESPRESSOExpress v0.5.0

Diff since v0.4.0

Closed issues:

  • New version: v0.4.0 (#86)

Merged pull requests:

  • Use UnifiedPseudopotentialFormat to work with download_potential (#88) (@singularitti)
  • CompatHelper: add new compat entry for UnifiedPseudopotentialFormat at version 0.3, (keep existing compat) (#89) (@github-actions[bot])
  • CompatHelper: bump compat for AbInitioSoftwareBase to 0.8, (keep existing compat) (#90) (@github-actions[bot])
  • CompatHelper: bump compat for UnifiedPseudopotentialFormat to 0.4, (keep existing compat) (#91) (@github-actions[bot])
  • CompatHelper: bump compat for Express to 0.6, (keep existing compat) (#92) (@github-actions[bot])
  • Remove extension of getpotentials & getpseudodir (#93) (@singularitti)