Skip to content

Issues: JuDFTteam/aiida-kkr

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

Clear current search query, filters, and sorts
25 Open 35 Closed
25 Open 35 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

Improve finding of screening cluster size enhancement
#4 opened Aug 20, 2018 by PhilippRue updated Aug 20, 2018
Auto check of input parameter enhancement
#5 opened Aug 20, 2018 by PhilippRue updated Aug 20, 2018
calculation importer does not work with aiida-core>=1.0 bug
#11 opened Nov 28, 2018 by PhilippRue updated Nov 28, 2018
standardize exit_codes enhancement
#23 opened Aug 30, 2019 by PhilippRue updated Aug 30, 2019
remove deprecated way of submitting calculations from documentation bug
#12 opened Nov 28, 2018 by PhilippRue updated Aug 30, 2019
1
kkr_scf workflow does not recognize stagnating convergence bug
#22 opened Aug 30, 2019 by PhilippRue updated Aug 30, 2019
Information on the Bravais matrix not parsed correctly bug
#21 opened Aug 30, 2019 by PhilippRue updated Aug 30, 2019
warnings from generate_inputcard_from_structure should be stored in calcualtion output node enhancement
#15 opened Dec 17, 2018 by PhilippRue updated Aug 30, 2019
Improve setting of emin in kkr_scf_wc workflow enhancement help wanted
#33 opened Mar 2, 2020 by PhilippRue updated Mar 2, 2020
Are magnetic host simulations properly parsed?
#46 opened Dec 4, 2020 by JPchico updated Dec 7, 2020
7
Further cmdline features to implement
#39 opened Nov 25, 2020 by broeder-j updated Jan 6, 2021
5
Sub SCF calculation do not keep provenance of the structures
#76 opened Jun 21, 2021 by JPchico updated Jun 21, 2021
Create calcfunctions for potential file modification
#83 opened Oct 12, 2021 by JPchico updated Oct 12, 2021 Refactor KKR input/output node structure
Make that the potential checks which is the angular momentum used in the inputs
#84 opened Oct 12, 2021 by JPchico updated Oct 12, 2021 Refactor KKR input/output node structure
Add capability for Voronoi calculation to have a potential as an input
#85 opened Oct 12, 2021 by JPchico updated Oct 12, 2021 Refactor KKR input/output node structure
Change the _set_ef_value_potential so that it works with the PotentialData
#86 opened Oct 12, 2021 by JPchico updated Oct 12, 2021 Refactor KKR input/output node structure
Change the modification of the EF in the kkrcalculation
#87 opened Oct 12, 2021 by JPchico updated Oct 12, 2021 Refactor KKR input/output node structure
Change the modification of corestates so that it works with the new potentialdata
#88 opened Oct 12, 2021 by JPchico updated Oct 12, 2021 Refactor KKR input/output node structure
Add non-collinear attribute to the PotentialData
#89 opened Oct 12, 2021 by JPchico updated Oct 12, 2021 Refactor KKR input/output node structure
Add periodic boundary conditions to the potentialdata attributes
#90 opened Oct 12, 2021 by JPchico updated Oct 12, 2021 Refactor KKR input/output node structure
Fix caching of tests
#98 opened Jul 5, 2022 by PhilippRue updated Jul 5, 2022
kkr_imp_wc inputs
#110 opened Aug 29, 2022 by dantogni updated Aug 29, 2022
Improve verbosity control in reports
#108 opened Aug 22, 2022 by PhilippRue updated Dec 1, 2022
Cashing broken in Kkrimp workflow tests bug
#143 opened Nov 10, 2023 by PhilippRue updated Nov 10, 2023
1
kkr_imp_dos workflow doesn't return the GF
#153 opened Apr 11, 2024 by Raff-physics updated Apr 17, 2024
2
ProTip! Type g p on any issue or pull request to go back to the pull request listing page.