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34 Open 49 Closed
34 Open 49 Closed
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Issues list

Reintroduce aiida-test-cache dependency in pyproject.toml
#167 opened Nov 21, 2024 by PhilippRue
3 tasks
Interpolated DOS data from the 'imp_dos_wc' is not correctly parsed
#158 opened Oct 16, 2024 by Raff-physics
Uploading the tools_STM_scan causes a circular import
#157 opened Jul 11, 2024 by Raff-physics
kkr_imp_dos workflow doesn't return the GF
#153 opened Apr 11, 2024 by Raff-physics
2
find_parent_structure does not work from a KkrimpCalculation node bug
#137 opened Nov 8, 2023 by Raff-physics
@PhilippRue @Raff-physics
3
plot_kkr structure plot paints black spheres with no lighting or shading bug
#132 opened May 25, 2023 by Irratzo
@Irratzo
1
plot_kkr fails with kkr_imp_wc, combine_imps_wc workchains bug critical
#131 opened May 25, 2023 by Irratzo
@Irratzo
Update docs to AiiDA v2.x and Jupyter Book enhancement
#116 opened Dec 6, 2022 by Irratzo
@Irratzo
1
kkr_imp_wc inputs
#110 opened Aug 29, 2022 by dantogni
Improve verbosity control in reports
#108 opened Aug 22, 2022 by PhilippRue
Add periodic boundary conditions to the potentialdata attributes
#90 opened Oct 12, 2021 by JPchico Refactor KKR input/output node structure
Add non-collinear attribute to the PotentialData
#89 opened Oct 12, 2021 by JPchico 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 Refactor KKR input/output node structure
Change the modification of the EF in the kkrcalculation
#87 opened Oct 12, 2021 by JPchico 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 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 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 Refactor KKR input/output node structure
Create calcfunctions for potential file modification
#83 opened Oct 12, 2021 by JPchico Refactor KKR input/output node structure
Add decimation files to the refactored kkr calculation
#82 opened Oct 12, 2021 by JPchico Refactor KKR input/output node structure
@PhilippRue
Sub SCF calculation do not keep provenance of the structures
#76 opened Jun 21, 2021 by JPchico
Are magnetic host simulations properly parsed?
#46 opened Dec 4, 2020 by JPchico
7
Further cmdline features to implement
#39 opened Nov 25, 2020 by broeder-j
5
Implement base_restart for KKRcalculation to fix known / common issues enhancement
#34 opened Mar 2, 2020 by PhilippRue
@PhilippRue
7
Improve setting of emin in kkr_scf_wc workflow enhancement help wanted
#33 opened Mar 2, 2020 by PhilippRue
use new style of run options instead of list of strings (keywords) enhancement
#32 opened Mar 2, 2020 by PhilippRue
@PhilippRue
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