Reintroduce m_package

nomad-coe · Nov 14, 2024 · e26e7ba · e26e7ba
1 parent fdae671
commit e26e7ba
Showing 1 changed file with 2 additions and 1 deletion.
diff --git a/electronicparsers/magres/parser.py b/electronicparsers/magres/parser.py
@@ -40,6 +40,7 @@
     ElectricFieldGradient,
     SpinSpinCoupling,
 )
+from .metainfo.magres import m_package
 from ..utils import BeyondDFTWorkflowsParser
 
 
@@ -438,7 +439,7 @@ def parse(self, filepath, archive, logger):
 
         # Create Run with Program information
         sec_run = Run()
-        calculation_params = self.magres_file_parser.get('calculation')
+        calculation_params = self.magres_file_parser.get('calculation', {})
         program_name = calculation_params.get('code', '')
         if program_name != 'CASTEP':
             self.logger.error(