You are working on the MolSSI/QCEngine repository. The source code is checked out at /testbed at commit…
You are working on the MolSSI/QCEngine repository. The source code is checked out at /testbed at commit…: a task in SWE-Lego-RL-2699 (Harbor dataset). Describe the solution you'd like 1. Rename the top-level local options kwarg for qcng.compute() to task config . This clearly identifies the object…
The task
**Describe the solution you'd like** 1. Rename the top-level `local_options` kwarg for `qcng.compute()` to `task_config`. This clearly identifies the object associated with these values and suggests to the end user what values should live in this dictionary (the attributes of the `TaskConfig` object). Changing the…
Part of Lego-X/Lego-RL-2699.