What's Changed
- Bump version v24.10.0a3 -> v24.10.0a4 by @superstar54 in #932
- Fix code_widget_class for PW by @superstar54 in #938
- Resource setting tabs by @superstar54 in #939
- Add DOME 4.0 to the acknowledgement by @superstar54 in #943
- set condition for update label if SOC if False by @AndresOrtegaGuerrero in #940
- Bandswidget refactoring by @AndresOrtegaGuerrero in #941
- changing the labels of periodicity widget by @AndresOrtegaGuerrero in #933
- Chaning pdos control labels by @AndresOrtegaGuerrero in #949
- Add layer of abstraction in
Panel
classes by @edan-bainglass in #945 - adding spin-orbit coupling to process label by @AndresOrtegaGuerrero in #954
- PBEsol as default for SOC by @AndresOrtegaGuerrero in #951
- modifications to the EditStructureData Widgets by @AndresOrtegaGuerrero in #956
- removing extran note caption by @AndresOrtegaGuerrero in #958
- setting periodicity options to the mapping by @AndresOrtegaGuerrero in #960
- adding a widget to control DeltaE in PDOS plugin by @AndresOrtegaGuerrero in #966
- upgrade qe-plugin , include nbands_factor to PdosWorkChain by @AndresOrtegaGuerrero in #965
- Add missing features in resource settings tabs by @edan-bainglass in #946
- Fix process-node-related bugs by @edan-bainglass in #967
- Implement path for in-app guides by @edan-bainglass in #763
- Move spin orbit to basic settings by @edan-bainglass in #984
- Do not set
nbnd
for pdos workchain by @superstar54 in #1000 - Redesign the app's container in aiidalab home by @edan-bainglass in #985
- Rename job history and convert the button to a link to a new tab by @superstar54 in #995
- Fixing the estimation of available cpus for a machine (localhost) by @mikibonacci in #971
- Adding warning message for demo server by @mikibonacci in #975
- Adding more details on how we computed the min cpus by @mikibonacci in #972
- Redesign status and results step by @edan-bainglass in #978
- Add icon links in docs to website and repo by @edan-bainglass in #1008
- Improve calculation history page by @superstar54 in #1002
- Clean up app wrapper MVC by @edan-bainglass in #1009
- increase fat bands slider max to 5.0 eV by @AndresOrtegaGuerrero in #1016
- using a center layout for the widget BandsPdosWidget by @AndresOrtegaGuerrero in #1017
- Move new calculation button to top-level controls by @edan-bainglass in #1010
- Implement missing-info warnings by @edan-bainglass in #1004
- Default workdir clean on demo server by @edan-bainglass in #1007
- Provide categorized example structures. by @superstar54 in #1019
- Set fat_bands=True when FatBands is required by @AndresOrtegaGuerrero in #1023
- ommiting 0.0 values for hubbard by @AndresOrtegaGuerrero in #1029
- Install aiida-pseudos from repo to avoid download issue by @superstar54 in #1028
- switch on the
-pd
option for pw code by @superstar54 in #1025 - Fix safari pop-up issue with new
LinkButton
widget by @edan-bainglass in #1011 - Clean up panel classes by @edan-bainglass in #1014
- Implement constant but relaxation-dependent structure results panel by @edan-bainglass in #1015
- Replace
DependentStep
mixin with properQeWizardStep
MVC classes by @edan-bainglass in #1032 - adding a center_layout to get the plot centered by @AndresOrtegaGuerrero in #1036
- Replace advanced settings override checkbox with a reset button by @edan-bainglass in #1012
- Sentence-case by @edan-bainglass in #1034
- Change select periodicity description to apply by @AndresOrtegaGuerrero in #1043
- Fix sentence case issues by @edan-bainglass in #1040
- Implement state-dependent accordion background colors by @edan-bainglass in #1038
- Redesign summary view by @edan-bainglass in #1044
- Unify electronic structure result panels by @edan-bainglass in #1039
- Check for null exit status by @edan-bainglass in #1047
- Add initial structure pk to summary by @edan-bainglass in #1051
- Generalize summary generation by @edan-bainglass in #1054
- Fix pymatgen dependency by @edan-bainglass in #1057
- Adding a download image button for different formats by @AndresOrtegaGuerrero in #1056
- Handle space/point-group correctly by @edan-bainglass in #1055
- Splitting AddingTag and Periodicity editors by @AndresOrtegaGuerrero in #1060
- Adding effect of selecting the table from the structure widget by @AndresOrtegaGuerrero in #1061
- Update download AiiDA data notebook by @edan-bainglass in #1065
- Adding relax max_step widget by @AndresOrtegaGuerrero in #1063
- Add info relaxed structure results tab by @AndresOrtegaGuerrero in #1066
- Synchronize TableWidget row selection by @AndresOrtegaGuerrero in #1067
- Add XPS resource by @superstar54 in #1071
- Use plugin utility to set default starting magnetization by @edan-bainglass in #1041
- Remove empty namespace from builder by @superstar54 in #1073
- use table_widget by @superstar54 in #1068
- Shuffle results panel top-level tabs and update default selection by @edan-bainglass in #1076
- Implement structure view toggle by @edan-bainglass in #1074
- Group bands by angular momentum by default by @edan-bainglass in #1078
- Spruce up advanced panel styling by @edan-bainglass in #1075
- Translate
waiting
workflow state torunning
by @edan-bainglass in #1077 - Explicitly state Sphinx configuration path by @edan-bainglass in #1080
- Set full width for plugin management page by @superstar54 in #1081
- Update guides by @edan-bainglass in #1035
- Utilize external resource setup notebook for code management by @edan-bainglass in #986
- Fix rendering logic of results panel controls by @edan-bainglass in #1082
- Use backwards compatible methods to extract output parameters by @edan-bainglass in #1083
- Add formula to structure results view by @edan-bainglass in #1084
- Humanized process status view by @edan-bainglass in #1048
- Unpin pymatgen by @edan-bainglass in #1086
- Fix process tree issues by @edan-bainglass in #1087
- Upgrade full-stack image to 2025.1025 by @superstar54 in #1088
- Bump version v24.10.0a4 -> v24.10.0a5 by @superstar54 in #1089
- Bump AWB version to
2.3.0a3
by @edan-bainglass in #1090 - Bump version v24.10.0a5 -> v24.10.0a6 by @superstar54 in #1091
- Use try/except to catch error by @superstar54 in #917
- Add
schema.json
to package data by @edan-bainglass in #1093 - Handle cpu and memory check gracefully by @superstar54 in #1094
Full Changelog: v24.10.0a4...v24.10.0a7