ms_gui_prepare_remote_castep_batch
Prepare multiple CASTEP geometry-optimization jobs from structure tasks, supporting native, script, or combined batch submission modes.
Instructions
Prepare independent native CASTEP geometry-optimization jobs or compatibility Script Job drivers. The default native_castep mode stages one XSD plus one CASTEP settings document per structure/spin task for separate submission from the CASTEP Calculation dialog, giving each calculation its own CASTEP Job Control entry and native convergence graphs.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| tasks | Yes | ||
| batchName | No | remote_castep_batch | |
| commonSettings | No | ||
| submissionMode | No | native_castep | |
| stopGuiLoopAfterPrepare | No |