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JuDFTteam
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aiida-kkr
AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calculations.
https://aiida-kkr.readthedocs.io
MIT License
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Uploading the tools_STM_scan causes a circular import
#157
Raff-physics
opened
2 months ago
0
Development of STM workchain
#156
PhilippRue
opened
4 months ago
0
Bugfix combine imps workflow after update to aiida v2
#155
PhilippRue
closed
4 months ago
0
[pre-commit.ci] pre-commit autoupdate
#154
pre-commit-ci[bot]
opened
5 months ago
0
kkr_imp_dos workflow doesn't return the GF
#153
Raff-physics
opened
5 months ago
2
Bump pylint from 3.0.2 to 3.1.0
#152
dependabot[bot]
opened
7 months ago
0
Bump pre-commit from 3.5.0 to 3.6.2
#151
dependabot[bot]
opened
7 months ago
0
Bump pre-commit from 3.5.0 to 3.6.1
#150
dependabot[bot]
closed
7 months ago
1
Bump pre-commit from 3.5.0 to 3.6.0
#149
dependabot[bot]
closed
7 months ago
2
Bump pylint from 3.0.2 to 3.0.3
#148
dependabot[bot]
closed
7 months ago
2
Bump yapf from 0.33.0 to 0.40.2
#147
dependabot[bot]
closed
10 months ago
2
Bump pylint from 2.17.4 to 3.0.2
#146
dependabot[bot]
closed
10 months ago
0
Bump pre-commit from 3.3.3 to 3.5.0
#145
dependabot[bot]
closed
10 months ago
0
Release v2.1.0
#144
PhilippRue
closed
10 months ago
1
Cashing broken in Kkrimp workflow tests
#143
PhilippRue
opened
10 months ago
1
Update tests for new version of aiida-core
#142
PhilippRue
closed
10 months ago
2
Fix finding parent structure for KkrimpCalculation
#141
PhilippRue
closed
10 months ago
0
Update tutorial command to aiida version 2
#140
Raff-physics
closed
11 months ago
1
Fix error plot_kkr
#139
Raff-physics
closed
11 months ago
0
plot_kkr crashes with imp scf workchain
#138
Raff-physics
closed
11 months ago
0
`find_parent_structure` does not work from a KkrimpCalculation node
#137
Raff-physics
opened
11 months ago
3
Rotations in KKRimp code
#136
PhilippRue
closed
11 months ago
0
Bump yapf from 0.33.0 to 0.40.1
#135
dependabot[bot]
closed
10 months ago
0
Bump pre-commit from 3.2.2 to 3.3.3
#134
dependabot[bot]
closed
10 months ago
0
Bump yapf from 0.33.0 to 0.40.0
#133
dependabot[bot]
closed
1 year ago
1
plot_kkr structure plot paints black spheres with no lighting or shading
#132
Irratzo
opened
1 year ago
1
plot_kkr fails with kkr_imp_wc, combine_imps_wc workchains
#131
Irratzo
opened
1 year ago
0
Bump pre-commit from 3.2.2 to 3.3.2
#130
dependabot[bot]
closed
1 year ago
1
Bump pylint from 2.17.2 to 2.17.4
#129
dependabot[bot]
closed
10 months ago
0
Bump pre-commit from 3.2.2 to 3.3.1
#128
dependabot[bot]
closed
1 year ago
1
[pre-commit.ci] pre-commit autoupdate
#127
pre-commit-ci[bot]
closed
10 months ago
0
Bump pylint from 2.17.2 to 2.17.3
#126
dependabot[bot]
closed
1 year ago
1
Real-space QPI workchain
#125
PhilippRue
opened
1 year ago
0
Bump yapf from 0.32.0 to 0.33.0
#124
dependabot[bot]
closed
1 year ago
0
Release v2.0.0
#123
PhilippRue
closed
1 year ago
1
Bump yapf from 0.28.0 to 0.32.0
#122
dependabot[bot]
closed
1 year ago
1
Bump pylint from 2.3.1 to 2.17.2
#121
dependabot[bot]
closed
1 year ago
1
Bump pre-commit from 1.17.0 to 3.2.2
#120
dependabot[bot]
closed
1 year ago
1
Update markupsafe requirement from <2.1.0 to <2.2.0
#119
dependabot[bot]
closed
1 year ago
1
[pre-commit.ci] pre-commit autoupdate
#118
pre-commit-ci[bot]
closed
1 year ago
1
Release 1.1.13
#117
PhilippRue
closed
1 year ago
1
Update docs to AiiDA v2.x and Jupyter Book
#116
Irratzo
opened
1 year ago
1
Implement base restart functionality
#115
PhilippRue
opened
1 year ago
0
[pre-commit.ci] pre-commit autoupdate
#114
pre-commit-ci[bot]
closed
1 year ago
1
Support for workflows with aiida-2.X
#113
PhilippRue
closed
1 year ago
1
He we started the host_BdG devolopment
#112
MRHemmati
opened
2 years ago
1
Development of BdG impurity workflow
#111
dantogni
closed
1 year ago
1
kkr_imp_wc inputs
#110
dantogni
opened
2 years ago
0
Next release
#109
PhilippRue
closed
2 years ago
1
Improve verbosity control in reports
#108
PhilippRue
opened
2 years ago
0
Next