Daniel Smith
Daniel Smith
I think a new page under "User Interface" since this is general to all program with a note in the environment detection page that MPI isn't automatically found.
This one will take some time as anything in `extras` has no form to it. We will need to get these quantities into the schema and then update the downstream...
Have you tried Binder with Psi4NumPy before? I am a bit worried that it would be easy to exceed the amount of compute and memory allowed by Binder. Easy to...
By and large these jobs are killed when the manager shuts down, but some do slip through for unknown reasons. When one of these jobs lands it will die in...
Ok, good to know. This is likely a specific combination of dask and LSF as the above behavior works for SLURM/PBS/etc. We will be pushing some changes upstream to `dask-jobqueue`...
We are in a bit of a flux state where the schema has been integrated into our quantum chemistry archival project, see [here](https://qcfractal.readthedocs.io/en/latest/) for some very preliminary docs. It might...
A easy to use CLA tool: https://cla-assistant.io
This does not appear to be possible with standard argparse unfortunately. I would rather not have another dependency here either.
I would vote for `method == commands[-1]["name"]`. This would make the `return_result` make at least some sense.