md_structure_preflight
Validate XSD or LAMMPS data files for structural, topology, type, cell, and charge errors before simulation.
Instructions
Check an XSD or LAMMPS data file for structural, topology, type, cell, and charge issues.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| path | Yes | ||
| charge_tolerance | No |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
No arguments | |||