Skip to content

Issues: stfc/janus-core

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

46 Open 181 Closed
46 Open 181 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Issues list

uv automatic torch backend selection? dependencies Upgrades or fixes to dependencies documentation Improvements or additions to documentation question Further information is requested
#495 opened Mar 26, 2025 by ElliottKasoar
@ElliottKasoar
new equivariant model pos-... enhancement New/improved feature or request
#494 opened Mar 25, 2025 by alinelena
Update SevenNet dependencies Upgrades or fixes to dependencies
#490 opened Mar 25, 2025 by ElliottKasoar
@ElliottKasoar
Test and document Windows installation documentation Improvements or additions to documentation testing Unit testing or CI
#489 opened Mar 25, 2025 by ElliottKasoar
1
@ElliottKasoar
Add config_type label to info after calculations enhancement New/improved feature or request
#488 opened Mar 25, 2025 by ElliottKasoar
Tutorials and UI/UX improvements documentation Improvements or additions to documentation priority Urgent attention required
#487 opened Mar 25, 2025 by ElliottKasoar
Consistency between CLI and Python interfaces. enhancement New/improved feature or request good first issue Good for newcomers
#486 opened Mar 25, 2025 by oerc0122
@oerc0122
2
Group CLI options documentation Improvements or additions to documentation
#484 opened Mar 24, 2025 by ElliottKasoar
@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
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
changes upstream for training enhancement New/improved feature or request note
#471 opened Mar 14, 2025 by alinelena
Rename NEB band enhancement New/improved feature or request
#466 opened Mar 10, 2025 by ElliottKasoar
Cannot specify GPU ID on machines with multiple GPUs question Further information is requested
#465 opened Mar 6, 2025 by m-k-S
2
Improve parameterisation of tests testing Unit testing or CI
#461 opened Mar 3, 2025 by ElliottKasoar
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
Add rare events simulations (PLUMED) enhancement New/improved feature or request
#450 opened Feb 26, 2025 by ElliottKasoar Requirements for paper release
1
keep authors in sync across various places (documentation) documentation Improvements or additions to documentation
#443 opened Feb 23, 2025 by alinelena
using labels to access the stats object leads to bad matching bug Something isn't working priority Urgent attention required
#442 opened Feb 21, 2025 by alinelena Requirements for paper release
@oerc0122
5
Tutorial notebooks overwritten bug Something isn't working documentation Improvements or additions to documentation
#440 opened Feb 20, 2025 by 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
Add example config files documentation Improvements or additions to documentation
#423 opened Feb 13, 2025 by ElliottKasoar
@ElliottKasoar
add support for fairchem enhancement New/improved feature or request
#420 opened Feb 13, 2025 by alinelena
1
@alinelena
2
Missing NPT-MTK tutorial documentation Improvements or additions to documentation
#418 opened Feb 12, 2025 by k-harris27
expose etol for geometry optimisation enhancement New/improved feature or request
#409 opened Feb 7, 2025 by alinelena
1
add support for grace enhancement New/improved feature or request
#408 opened Feb 6, 2025 by alinelena
1
@alinelena
ProTip! Find all open issues with in progress development work with linked:pr.