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Rotations in KKRimp code #136

Merged
merged 5 commits into from
Oct 31, 2023
Merged

Rotations in KKRimp code #136

merged 5 commits into from
Oct 31, 2023

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PhilippRue
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Fixes workflows that use the impurity code. With these changes it ispossible to set the nonco angles for the impurity calculation. Now the workflows using the impurity code expose this input as well and can thus change the direction of the impurity moments.

Other improvements:

  • remove deprecated cleanup (worked only in aiida-core<2.0)
  • fix KKRimp parser to not have NaN values (requires update of masci-tools from latest develop branch)

@PhilippRue PhilippRue merged commit 2aa35aa into develop Oct 31, 2023
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@PhilippRue PhilippRue deleted the fix_rotations branch October 31, 2023 15:21
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