Releases: MineralsCloud/Pseudopotentials.jl
Releases · MineralsCloud/Pseudopotentials.jl
v0.8.1
Pseudopotentials v0.8.1
Closed issues:
- Register version 0.8.0 (#53)
Merged pull requests:
- Update template files (#55) (@singularitti)
v0.8.0
Pseudopotentials v0.8.0
Merged pull requests:
- New version: v0.7.0 (#51) (@singularitti)
- Add empty function
download_potential
(#52) (@singularitti)
v0.7.0
Pseudopotentials v0.7.0
Merged pull requests:
- New version: v0.6.0 (#49) (@singularitti)
- Deprecate type
PseudopotentialFormat
(#50) (@singularitti)
v0.6.0
Pseudopotentials v0.6.0
Closed issues:
Merged pull requests:
- Add type
Pseudopotential
(#45) (@singularitti)
v0.5.1
Pseudopotentials v0.5.1
v0.5.0
Pseudopotentials v0.5.0
Merged pull requests:
- New version: v0.4.0 (#37) (@singularitti)
- Put
AllElectron
at last to avoid premature matching (#38) (@singularitti) - Update module
Pslibrary
(#39) (@singularitti) - Rename
LocalDensityApproximationFunctional
,GeneralizedGradientApproximationFunctional
,MetaGGAFunctional
, &HybridFunctional
(#40) (@singularitti) - Move somethings into package https://github.com/MineralsCloud/UnifiedPseudopotentialFormat.jl (#41) (@singularitti)
v0.4.0
Pseudopotentials v0.4.0
Merged pull requests:
- New version: v0.3.0 (#34) (@singularitti)
- Redefine
ExchangeCorrelationFunctional
&Pseudization
to types (#35) (@singularitti) - Add type
PseudopotentialName
& Renameanalyse_pp_name
toparse
forPseudopotentialName
(#36) (@singularitti)
v0.3.0
v0.2.0
Pseudopotentials v0.2.0
Merged pull requests:
- Add
read
forUnifiedPseudopotentialFormat
(#30) (@singularitti)
v0.1.0
Pseudopotentials v0.1.0
Merged pull requests:
- CompatHelper: add new compat entry for "JSON" at version "0.21" (#1) (@github-actions[bot])
- CompatHelper: add new compat entry for "DataFrames" at version "0.20" (#2) (@github-actions[bot])
- CompatHelper: add new compat entry for "JLD2" at version "0.1" (#3) (@github-actions[bot])
- CompatHelper: add new compat entry for "Parameters" at version "0.12" (#4) (@github-actions[bot])
- CompatHelper: bump compat for "DataFrames" to "0.21" (#5) (@github-actions[bot])
- CompatHelper: add new compat entry for "UrlDownload" at version "0.2" (#6) (@github-actions[bot])
- CompatHelper: add new compat entry for "EzXML" at version "1.1" (#7) (@github-actions[bot])
- CompatHelper: bump compat for "UrlDownload" to "0.3" (#8) (@github-actions[bot])
- CompatHelper: bump compat for "JLD2" to "0.2" (#9) (@github-actions[bot])
- CompatHelper: bump compat for "JLD2" to "0.4" (#10) (@github-actions[bot])
- CompatHelper: bump compat for "UrlDownload" to "1.0" (#11) (@github-actions[bot])
- Fix some styles in PSlibrary.jl (#12) (@singularitti)
- Implement
UPF
using AcuteML.jl (#13) (@singularitti) - Fix can't parse
PP_CHI
&PP_BETA
(#14) (@singularitti) - Add more types to UPF.jl (#15) (@singularitti)
- Fix some fields that can be missing (#16) (@singularitti)
- CompatHelper: add new compat entry for "AcuteML" at version "0.11" (#17) (@github-actions[bot])
- CompatHelper: bump compat for "DataFrames" to "1.1" (#18) (@github-actions[bot])
- Rewrite
PSlibrary
module (#19) (@singularitti) - Update template files (#20) (@singularitti)
- Fix
list_elements
&list_potential
(#22) (@singularitti) - Restyled by prettier-markdown (#23) (@singularitti)
- Fix
list_elements
,list_potentials
,download_potentials
(#24) (@singularitti) - Fix docs (#25) (@singularitti)
- Remove
JLD2.jl
from deps (#26) (@singularitti)