1895a1e954eb0ee668deffe0de9b2207b5c04c9c,qcengine/programs/mp2d.py,MP2DHarness,compute,#MP2DHarness#Any#Any#,61
Before Change
output_data = run_json(input_data)
if output_data["success"]:
return Result(**output_data)
return FailedOperation(
success=output_data.pop("success", False), error=output_data.pop("error"), input_data=output_data)
def run_json(jobrec):
After Change
if success:
dexe["outfiles"]["stdout"] = dexe["stdout"]
dexe["outfiles"]["stderr"] = dexe["stderr"]
output_model = self.parse_output(dexe["outfiles"], input_model)
else:
output_model = input_model
output_model["error"] = {"error_type": "execution_error", "error_message": dexe["stderr"]}
return output_model
def execute(self,
inputs: Dict[str, Any],
*,
In pattern: SUPERPATTERN
Frequency: 3
Non-data size: 5
Instances
Project Name: MolSSI/QCEngine
Commit Name: 1895a1e954eb0ee668deffe0de9b2207b5c04c9c
Time: 2019-06-07
Author: lori.burns@gmail.com
File Name: qcengine/programs/mp2d.py
Class Name: MP2DHarness
Method Name: compute
Project Name: MolSSI/QCEngine
Commit Name: bfaadafe7c6910a1fe234e0248cd695f953a1586
Time: 2020-10-11
Author: dgasmith@icloud.com
File Name: qcengine/programs/qcore.py
Class Name: QcoreHarness
Method Name: compute
Project Name: MolSSI/QCEngine
Commit Name: 76d930ec1fe1e18300c835ddf938afd943d4ad05
Time: 2019-06-10
Author: lori.burns@gmail.com
File Name: qcengine/programs/dftd3.py
Class Name: DFTD3Harness
Method Name: compute