Next release #159
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Next release #159
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also refactor tools for combine imps and move some to imp_cluster_tools to reuse the functions in there for the new STM-scanning feature
Bumps [pre-commit](https://github.com/pre-commit/pre-commit) from 3.5.0 to 3.6.2. - [Release notes](https://github.com/pre-commit/pre-commit/releases) - [Changelog](https://github.com/pre-commit/pre-commit/blob/main/CHANGELOG.md) - [Commits](pre-commit/pre-commit@v3.5.0...v3.6.2) --- updated-dependencies: - dependency-name: pre-commit dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com>
Bumps [pylint](https://github.com/pylint-dev/pylint) from 3.0.2 to 3.1.0. - [Release notes](https://github.com/pylint-dev/pylint/releases) - [Commits](pylint-dev/pylint@v3.0.2...v3.1.0) --- updated-dependencies: - dependency-name: pylint dependency-type: direct:production update-type: version-update:semver-minor ... Signed-off-by: dependabot[bot] <support@github.com>
…ls refactorisation
STM workflow add to the entry points
Renamed STM_wc to kkr_STM_wc
Test for the kkr_STM_wc has been added
… there was no LDAU_rms
Bugfix combine imps workflow after update to aiida v2
… version, now the KKR_STM and tools_STM_scan have been updated to the lastest working version (6 June)
- decrease default mixing factor in kkrimp workflow - allow to use unconverged inputs to combine_imps workflow - allow integer and boolean values in fix_dir entry of nonco_angle input to Kkr(imp)Calculations
…ation Combines the features of Jij extraction with a CPA structure within AiiDA-KKR and the subsequent spin dynamics simulations using the AiiDA-Spirit plugin
- allow to use shapefun from input - better control over calculation parameters - reactivate k-point parallelization for deci-out step if options are provided
…mit-3.6.2 Bump pre-commit from 3.5.0 to 3.6.2
…3.1.0 Bump pylint from 3.0.2 to 3.1.0
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Update to newer python version in testing
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