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BUG finalize section called before completion of workchain

bugSomething isn't workingSomething isn't working

Status: Open.

#168 In nanotech-empa/aiida-nanotech-empa;

· cpignedoli opened on Dec 19, 2024

Visualization of 3D / 2D data

Status: Open.

#139 In nanotech-empa/aiida-nanotech-empa;

· cpignedoli opened on Jul 21, 2023

Improve/upcate cp2k_utils.py

Status: Open.

#127 In nanotech-empa/aiida-nanotech-empa;

· yakutovicha opened on Apr 28, 2023

string_range_to_list is defined in two places

Status: Open.

#126 In nanotech-empa/aiida-nanotech-empa;

· yakutovicha opened on Apr 28, 2023

Rewrite cp2k_gw_parser

Status: Open.

#125 In nanotech-empa/aiida-nanotech-empa;

· yakutovicha opened on Apr 28, 2023

Workflow for 2D materials with SOC (spin orbit coupling)

enhancementNew feature or requestNew feature or request

Status: Open.

#99 In nanotech-empa/aiida-nanotech-empa;

· cpignedoli opened on Sep 15, 2022

Workflow to extract TB parameters form DFT for GNR type systems

enhancementNew feature or requestNew feature or request

Status: Open.

#98 In nanotech-empa/aiida-nanotech-empa;

· cpignedoli opened on Sep 15, 2022

Self-hosted runners for the github actions

enhancementNew feature or requestNew feature or request

Status: Open.

#97 In nanotech-empa/aiida-nanotech-empa;

· cpignedoli opened on Sep 8, 2022

For magnetic calculation add a check that CG solution is correct.

enhancementNew feature or requestNew feature or request

Status: Open.

#96 In nanotech-empa/aiida-nanotech-empa;

· yakutovicha opened on Sep 7, 2022

Workflow exit codes: keep them consistent and adhere to exit code conventions.

Status: Open.

#90 In nanotech-empa/aiida-nanotech-empa;

· yakutovicha opened on Jul 8, 2022

Deprecate fixed_atoms input.

blocked

Status: Open.

#89 In nanotech-empa/aiida-nanotech-empa;

· cpignedoli opened on Jul 5, 2022

FragmentSeparationWorkChain: plot of charge difference with pymol

blocked

Status: Open.

#88 In nanotech-empa/aiida-nanotech-empa;

· cpignedoli opened on Jul 5, 2022