ms_gui_forcite_optimize_current
Queue a Forcite geometry optimization on the current GUI document with manual-like folder layout, controlling cores, quality, forcefield, and cell optimization.
Instructions
Queue a Forcite GeometryOptimization on the current GUI document using a manual-like calculation folder layout.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| cores | No | ||
| dryRun | No | ||
| quality | No | Medium | |
| exportFile | No | ||
| forcefield | No | Universal | |
| confirmToken | No | ||
| documentName | No | ||
| optimizeCell | No | ||
| extraSettings | No | ||
| maxIterations | No | ||
| resultDocument | No | Forcite.xsd | |
| calculationName | No | Forcite_GeometryOptimization | |
| chargeAssignment | No | Use current |