Comments (3)
fBert31
commented on June 6, 2024
Also get rid of/change the old way to shut down workchains with the control_end_wc, since self.abort doesn't work for the new aiida_core version
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PhilippRue
commented on June 6, 2024
The exit codes should also be standardized and be documented
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PhilippRue
commented on June 6, 2024
Now exit codes are use, but their numbering is not standardized yet. This task has been moved to a new issue (#23).
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Related Issues (20)
- Allow to deactivate pre-convergence with coarse settings in `kkr_scf_wc`
- Improve verbosity control in reports
- kkr_imp_wc inputs
- Update docs to AiiDA v2.x and Jupyter Book HOT 1
- plot_kkr fails with kkr_imp_wc, combine_imps_wc workchains
- plot_kkr structure plot paints black spheres with no lighting or shading HOT 1
- `find_parent_structure` does not work from a KkrimpCalculation node HOT 3
- plot_kkr crashes with imp scf workchain
- Update tutorial command to aiida version 2 HOT 1
- Cashing broken in Kkrimp workflow tests HOT 1
- Change the modification of corestates so that it works with the new potentialdata
- Add non-collinear attribute to the PotentialData
- Add periodic boundary conditions to the potentialdata attributes
- Input conversion error in shapefun file
- Error in finding Bi potential in ElementDataBase HOT 1
- "STARTB1:...." error in convergence step HOT 4
- Very slow convergence for large slab calculations
- VERT 3D error in voronoi step
- Fix caching of tests
- Get rid of unused `ef_shift` input to kkrimp_dos workflow
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