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Issues list

Create examples documentation Improvements or additions to documentation good first issue Good for newcomers
#34 opened Feb 16, 2024 by ElliottKasoar
14 of 27 tasks
Requirements for paper release
@alinelena @ElliottKasoar
@oerc0122 @federicazanca
corrupted downloads crash janus core enhancement New/improved feature or request
#79 opened Mar 19, 2024 by alinelena
Migrate janus functionality enhancement New/improved feature or request
#117 opened Apr 22, 2024 by ElliottKasoar
2 of 4 tasks
Add visualisation via ZnDraw enhancement New/improved feature or request
#121 opened Apr 25, 2024 by ElliottKasoar
Add option for pressure ramp in MD enhancement New/improved feature or request good first issue Good for newcomers
#141 opened May 8, 2024 by ElliottKasoar
Improve efficiency of MD restart from stats file enhancement New/improved feature or request good first issue Good for newcomers
#298 opened Sep 2, 2024 by ElliottKasoar
Expand supported models for training enhancement New/improved feature or request priority Urgent attention required
#308 opened Sep 6, 2024 by ElliottKasoar Requirements for paper release
Consider context manager for CLI summary enhancement New/improved feature or request
#345 opened Nov 4, 2024 by ElliottKasoar
phonon bands compressed make it option enhancement New/improved feature or request good first issue Good for newcomers
#356 opened Nov 22, 2024 by alinelena Requirements for paper release
Use slice.indices() enhancement New/improved feature or request
#364 opened Dec 4, 2024 by oerc0122
Improve defaults enhancement New/improved feature or request
#370 opened Dec 12, 2024 by ElliottKasoar
@ElliottKasoar
Use progress bar for MD enhancement New/improved feature or request good first issue Good for newcomers
#405 opened Feb 4, 2025 by ElliottKasoar
2
@ElliottKasoar
add support for grace enhancement New/improved feature or request
#408 opened Feb 6, 2025 by alinelena
1
@alinelena
Missing NPT-MTK tutorial documentation Improvements or additions to documentation
#418 opened Feb 12, 2025 by k-harris27
Add example config files documentation Improvements or additions to documentation
#423 opened Feb 13, 2025 by ElliottKasoar
@ElliottKasoar
tutorial material documentation Improvements or additions to documentation priority Urgent attention required
#432 opened Feb 19, 2025 by alinelena
19 tasks
@alinelena @harveydevereux
@ElliottKasoar @oerc0122
Tutorial notebooks overwritten bug Something isn't working documentation Improvements or additions to documentation
#440 opened Feb 20, 2025 by ElliottKasoar
keep authors in sync across various places (documentation) documentation Improvements or additions to documentation
#443 opened Feb 23, 2025 by alinelena
No CLI option to disable progress bar in phonons or singlepoint enhancement New/improved feature or request good first issue Good for newcomers
#455 opened Feb 28, 2025 by k-harris27
Improve parameterisation of tests testing Unit testing or CI
#461 opened Mar 3, 2025 by ElliottKasoar
Rename NEB band enhancement New/improved feature or request
#466 opened Mar 10, 2025 by ElliottKasoar
changes upstream for training enhancement New/improved feature or request note
#471 opened Mar 14, 2025 by alinelena
Create new results directory for new calculations enhancement New/improved feature or request
#472 opened Mar 17, 2025 by ElliottKasoar Requirements for paper release
@ElliottKasoar
Test CLI tutorials bug Something isn't working documentation Improvements or additions to documentation testing Unit testing or CI
#481 opened Mar 24, 2025 by ElliottKasoar
@ElliottKasoar
Group CLI options documentation Improvements or additions to documentation
#484 opened Mar 24, 2025 by ElliottKasoar
1
@ElliottKasoar
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