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.
Tool call template
Replace each placeholder with a value matching the input schema. Only required parameters are included; add optional parameters as needed.
{
"id": 1,
"jsonrpc": "2.0",
"method": "tools/call",
"params": {
"arguments": {
"path": "<path>"
},
"name": "md_structure_preflight"
}
}Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| path | Yes | ||
| charge_tolerance | No |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
No arguments | |||