OptimizationProtocols

pydantic model qcelemental.models.v2.OptimizationProtocols[source]

Protocols regarding the manipulation of a Optimization output data.

Show JSON schema

{
   "title": "OptimizationProtocols",
   "description": "Protocols regarding the manipulation of a Optimization output data.",
   "type": "object",
   "properties": {
      "schema_name": {
         "const": "qcschema_optimization_protocols",
         "default": "qcschema_optimization_protocols",
         "title": "Schema Name",
         "type": "string"
      },
      "trajectory_results": {
         "$ref": "#/$defs/TrajectoryProtocolEnum",
         "default": "none",
         "description": "\n    Which gradient evaluations to keep in an optimization trajectory.\n    "
      }
   },
   "$defs": {
      "TrajectoryProtocolEnum": {
         "description": "Which gradient evaluations to keep in an optimization trajectory.",
         "enum": [
            "all",
            "initial_and_final",
            "final",
            "none"
         ],
         "title": "TrajectoryProtocolEnum",
         "type": "string"
      }
   },
   "additionalProperties": false
}

Fields:

schema_name (Literal['qcschema_optimization_protocols'])
trajectory_results (qcelemental.models.v2.optimization.TrajectoryProtocolEnum)

field schema_name: Literal['qcschema_optimization_protocols'] = 'qcschema_optimization_protocols'

field trajectory_results: TrajectoryProtocolEnum = TrajectoryProtocolEnum.none: Which gradient evaluations to keep in an optimization trajectory.

convert_v(target_version, /)[source]

Convert to instance of particular QCSchema version.

Parameters:: target_version (int)
Return type:: qcelemental.models.v1.OptimizationProtocols | qcelemental.models.v2.OptimizationProtocols