Releases: MineralsCloud/QuantumESPRESSOExpress.jl
Releases · MineralsCloud/QuantumESPRESSOExpress.jl
v0.5.9
QuantumESPRESSOExpress v0.5.9
v0.5.8
QuantumESPRESSOExpress v0.5.8
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 setnothing
tooutdir
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
QuantumESPRESSOExpress v0.5.7
Merged pull requests:
- CompatHelper: bump compat for Express to 0.9, (keep existing compat) (#118) (@github-actions[bot])
v0.5.6
QuantumESPRESSOExpress v0.5.6
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
QuantumESPRESSOExpress v0.5.5
Merged pull requests:
- CompatHelper: bump compat for QuantumESPRESSO to 0.8, (keep existing compat) (#113) (@github-actions[bot])
v0.5.4
QuantumESPRESSOExpress v0.5.4
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
PseudodirSetter
s (#112) (@singularitti)
v0.5.3
v0.5.2
v0.5.1
QuantumESPRESSOExpress v0.5.1
Closed issues:
- New version: v0.5.0 (#94)
Merged pull requests:
- Use
_choose
incustomizer
in src/EquationOfStateWorkflow/actions.jl (#95) (@singularitti) - Fix
_choose
(#96) (@singularitti)
v0.5.0
QuantumESPRESSOExpress v0.5.0
Closed issues:
- New version: v0.4.0 (#86)
Merged pull requests:
- Use
UnifiedPseudopotentialFormat
to work withdownload_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)