518ea17046c4a6e02891b415c55b494afa53bc84,qcengine/programs/dftd3/runner.py,DFTD3Executor,compute,#DFTD3Executor#Any#Any#,60

Before Change

    def compute(self, input_data: "ResultInput", config: "JobConfig") -> "Result":

        if not which("dftd3", return_bool=True):
            raise ImportError("Could not find dftd3 in the envvar path.")

        // Set up the job
        input_data = input_data.copy().dict()
        input_data["success"] = False

        output_data = run_json(input_data)

After Change

        return safe_version(candidate_version)

    def compute(self, input_data: "ResultInput", config: "JobConfig") -> "Result":
        self.found(raise_error=True)

        // Set up the job
        input_data = input_data.copy().dict()
        input_data["success"] = False

Instances