bernstei

On Dec 2, 2022, at 5:27 PM, Ken Hornstein ***@***.******@***.***>> wrote: Actually, I think that if you pull the card out and put it back in, and do not remove...

I tried to re-add the one that's definitely the PIV key, and it appears that it's the same as the one I've been using all along.

To make the `BinaryBuilder` process more flexible, are there few enough ABIs (e.g. MPICH, which IntelMPI apparently also uses, and OpenMPI) that just having a couple (or a few, but...

I think you should probably add fixes to support Intel MPI in `MPIType` and `MPIOp` as well. Looks to me (from looking at, e.g. `oneapi/mpi/2021.1.1/include/mpi.h`) that Intel MPI uses the...

I looked a bit more carefully at the output of `print(json.dumps(task_result, indent=2))`, and I see that `"task_type"` is listed under `"fields_not_requested"` even if I explicitly pass it in `fields` to...

@munrojm any ideas on this?

Thanks. I was able to extract the task type from the material record and match it to the corresponding task data.

I agree with UI, that it needs to be more clear that this will attach a fragment to an existing atom, or replace an existing atom with a fragment. But...

Putting in a CH4 and clicking on one of the hydrogens with the template tool worked nicely.

Makes sense. Thanks.