5928cb36cc84496ff3521e41b24dd2e15c7f13ba,qcengine/programs/intf_dftd3/runner.py,,run_dftd3,#Any#Any#Any#,47

Before Change

        dftd3_driver(jobrec)
    except Exception as err:
        jobrec["success"] = False
        jobrec["error"] += repr(err)
    else:
        jobrec["success"] = True
        jobrec["qcvars"]["CURRENT ENERGY"] = copy.deepcopy(jobrec["qcvars"]["DISPERSION CORRECTION ENERGY"])
        if jobrec["driver"] == "gradient":

After Change

            "error_type": type(exc).__name__,
            "error_message": "".join(traceback.format_exception(*sys.exc_info())),
        }
        raise exc

    jobrec["success"] = True
    jobrec["qcvars"]["CURRENT ENERGY"] = copy.deepcopy(jobrec["qcvars"]["DISPERSION CORRECTION ENERGY"])
    if jobrec["driver"] == "gradient":

Instances