Reference¶
-
workchain
aiida_strain.
ApplyStrains
- metadata, Namespace
Namespace Ports
- call_link_label, (str), optional, non_db – The label to use for the CALL link if the process is called by another process.
- description, (str), optional, non_db – Description to set on the process node.
- label, (str), optional, non_db – Label to set on the process node.
- store_provenance, bool, optional, non_db – If set to False provenance will not be stored in the database.
- strain_kind, Str, required
- strain_parameters, Str, required
- strain_strengths, List, required
- structure, StructureData, required
Workchain to create strained structures from a given input structure.
Inputs:
Outputs:
None defined.
-
workchain
aiida_strain.
ApplyStrainsWithSymmetry
- metadata, Namespace
Namespace Ports
- call_link_label, (str), optional, non_db – The label to use for the CALL link if the process is called by another process.
- description, (str), optional, non_db – Description to set on the process node.
- label, (str), optional, non_db – Label to set on the process node.
- store_provenance, bool, optional, non_db – If set to False provenance will not be stored in the database.
- strain_kind, Str, required
- strain_parameters, Str, required
- strain_strengths, List, required
- structure, StructureData, required
- symmetries, SinglefileData, required
- symmetry_repr_code, Code, required
Workchain to create strained structures from an input structure, and select the symmetries which are compatible with the strained structure from a set of given input symmetries.
Inputs:
Outputs:
None defined.