Expose rimpshipt to kkrimp_dos workchain

JuDFTteam · Nov 27, 2023 · 72e6460 · 72e6460
1 parent 9775bcf
commit 72e6460
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Showing 2 changed files with 4 additions and 4 deletions.
diff --git a/aiida_kkr/workflows/kkr_imp_dos.py b/aiida_kkr/workflows/kkr_imp_dos.py
@@ -21,7 +21,7 @@
 __copyright__ = (u'Copyright (c), 2019, Forschungszentrum Jülich GmbH, '
  'IAS-1/PGI-1, Germany. All rights reserved.')
 __license__ = 'MIT license, see LICENSE.txt file'
-__version__ = '0.7.0'
+__version__ = '0.7.1'
 __contributors__ = (u'Fabian Bertoldo', u'Philipp Rüßmann')
 
 # activate verbose output, for debugging only
@@ -150,7 +150,7 @@ def define(cls, spec):
  )
 
  spec.expose_inputs(kkr_imp_sub_wc, namespace='BdG', include=('params_overwrite'))
- spec.expose_inputs(kkr_imp_sub_wc, include=('initial_noco_angles'))
+ spec.expose_inputs(kkr_imp_sub_wc, include=('initial_noco_angles', 'rimpshift'))
  spec.expose_inputs(kkr_flex_wc, namespace='gf_writeout', include=('params_kkr_overwrite', 'options'))
 
  # specify the outputs

diff --git a/aiida_kkr/workflows/kkr_imp_sub.py b/aiida_kkr/workflows/kkr_imp_sub.py
@@ -17,7 +17,7 @@
 __copyright__ = (u'Copyright (c), 2017, Forschungszentrum Jülich GmbH, '
  'IAS-1/PGI-1, Germany. All rights reserved.')
 __license__ = 'MIT license, see LICENSE.txt file'
-__version__ = '0.10.0'
+__version__ = '0.10.1'
 __contributors__ = (u'Fabian Bertoldo', u'Philipp Ruessmann')
 
 #TODO: work on return results function
@@ -130,7 +130,7 @@ def define(cls, spec):
  help='Dict of parameters that are given to the KKRimpCalculation. Overwrites automatically set values!'
  )
 
- spec.expose_inputs(KkrimpCalculation, include=('initial_noco_angles'))
+ spec.expose_inputs(KkrimpCalculation, include=('initial_noco_angles', 'rimpshift'))
 
  # Here the structure of the workflow is defined
  spec.outline(