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Simplify & extend the combine impurity workflow

Status: Open.

#174 In JuDFTteam/aiida-kkr;

· Irratzo opened on Jul 31, 2025

Compatibility with aiida v3 API

critical

Status: Open.

#172 In JuDFTteam/aiida-kkr;

· dantogni opened on Jan 15, 2025

Reintroduce aiida-test-cache dependency in pyproject.toml

Status: Open.

#167 In JuDFTteam/aiida-kkr;

· PhilippRue opened on Nov 21, 2024

Interpolated DOS data from the 'imp_dos_wc' is not correctly parsed

Status: Open.

#158 In JuDFTteam/aiida-kkr;

· Raff-physics opened on Oct 16, 2024

kkr_imp_dos workflow doesn't return the GF

Status: Open.

#153 In JuDFTteam/aiida-kkr;

· Raff-physics opened on Apr 11, 2024

find_parent_structure does not work from a KkrimpCalculation node

bug

Status: Open.

#137 In JuDFTteam/aiida-kkr;

· Raff-physics opened on Nov 8, 2023

plot_kkr structure plot paints black spheres with no lighting or shading

bug

Status: Open.

#132 In JuDFTteam/aiida-kkr;

· Irratzo opened on May 25, 2023

plot_kkr fails with kkr_imp_wc, combine_imps_wc workchains

bug

critical

Status: Open.

#131 In JuDFTteam/aiida-kkr;

· Irratzo opened on May 25, 2023

Update docs to AiiDA v2.x and Jupyter Book

enhancement

Status: Open.

#116 In JuDFTteam/aiida-kkr;

· Irratzo opened on Dec 6, 2022

kkr_imp_wc inputs

Status: Open.

#110 In JuDFTteam/aiida-kkr;

· dantogni opened on Aug 29, 2022

Improve verbosity control in reports

Status: Open.

#108 In JuDFTteam/aiida-kkr;

· PhilippRue opened on Aug 22, 2022

Add periodic boundary conditions to the potentialdata attributes

Status: Open.

#90 In JuDFTteam/aiida-kkr;

· JPchico opened on Oct 12, 2021

·  

Refactor KKR input/output node structure