Remove setting default calculation to scf

This is already the default in QE anyways, and is specified as such in the protocol.
aiidateam · Apr 16, 2023 · 347095c · 347095c
1 parent 73c11d8
commit 347095c
Showing 1 changed file with 0 additions and 1 deletion.
diff --git a/src/aiida_quantumespresso/workflows/pw/base.py b/src/aiida_quantumespresso/workflows/pw/base.py
@@ -240,7 +240,6 @@ def setup(self):
         self.ctx.inputs.parameters.setdefault('CONTROL', {})
         self.ctx.inputs.parameters.setdefault('ELECTRONS', {})
         self.ctx.inputs.parameters.setdefault('SYSTEM', {})
-        self.ctx.inputs.parameters['CONTROL'].setdefault('calculation', 'scf')
 
         self.ctx.inputs.settings = self.ctx.inputs.settings.get_dict() if 'settings' in self.ctx.inputs else {}