Releases: MineralsCloud/QuantumESPRESSOBase.jl
Releases · MineralsCloud/QuantumESPRESSOBase.jl
v0.7.5
QuantumESPRESSOBase v0.7.5
Merged pull requests:
- Add test "Construct a
PhInput
: silicon" (#162) (@singularitti)
v0.7.4
QuantumESPRESSOBase v0.7.4
Merged pull requests:
- Update template files (#157) (@singularitti)
- Add more tests for
PWInput
(#158) (@singularitti) - Rename test/Setters.jl to test/set.jl (#159) (@singularitti)
- Fix
PWInput
does not have@batteries
(#160) (@singularitti) - Fix tests of
getxmldir
*getpseudodir
(#161) (@singularitti)
v0.7.3
QuantumESPRESSOBase v0.7.3
Merged pull requests:
- Return
OrderedDict
instead ofDict
indropdefault
(#155) (@singularitti) - CompatHelper: add new compat entry for OrderedCollections at version 1, (keep existing compat) (#156) (@github-actions[bot])
v0.7.2
QuantumESPRESSOBase v0.7.2
v0.7.1
QuantumESPRESSOBase v0.7.1
Merged pull requests:
- CompatHelper: bump compat for Crystallography to 0.5, (keep existing compat) (#153) (@github-actions[bot])
- Extend
crystaldensity
&Cell
forPWInput
(#154) (@singularitti)
v0.7.0
QuantumESPRESSOBase v0.7.0
Merged pull requests:
- Implement
find_symmetry
forPWInput
(#151) (@singularitti) - Fix
find_symmetry
(#152) (@singularitti)
v0.6.3
QuantumESPRESSOBase v0.6.3
Merged pull requests:
- Fix
CellParametersCardSetter
forPWInput
(#150) (@singularitti)
v0.6.2
QuantumESPRESSOBase v0.6.2
Merged pull requests:
- CompatHelper: bump compat for AbInitioSoftwareBase to 0.9, (keep existing compat) (#149) (@github-actions[bot])
v0.6.1
QuantumESPRESSOBase v0.6.1
Merged pull requests:
- Fix
Lattice
forPWInput
whenoption
is"alat"
(#148) (@singularitti)
v0.6.0
QuantumESPRESSOBase v0.6.0
Merged pull requests:
- Add
Lattice
from aCellParametersCard
and aPWInput
(#146) (@singularitti) - Rename
InformationNotEnough
toLackCellInfoError
(#147) (@singularitti)