Anubhav Jain
Anubhav Jain
e.g., ``_max_runtime`` in spec one implementation option: adding a BackgroundTask that throws an error
Right now, if you want to set custom queue properties for a job, you set ``_queueadapter`` keyword in the FW at the time of FW creation. But the queue properties...
Launch objects use string dates whereas Workflows use date time dates in the database. Not sure about Fireworks Fixing should be easy, but getting backward compatibility with historical FWS databases...
global pause. Also think about offline mode. Pause workers rather than WFlow? Requested by Shyue in the past, would be useful for others
FireWorks will detect a previous block as any directory starting with ``block_``. For example, I had a ``block_previously_ran_on_home`` meant to be an archive, but FWS picked it up as the...
See: https://github.com/hackingmaterials/atomate/issues/217 I already fixed it so that FW_offline.json is loaded from the correct place. But it looks like the checkpoint object always goes to the "launch_dir" (i.e., the *initial*...
Technically pymatgen and mapi are separate, but perhaps it would be useful to document some of the pymatgen built-ins here. See: https://groups.google.com/forum/#!topic/pymatgen/d3q1q6TgDTY Perhaps in a different folder than "materials" -...
@blondegeek Not sure exactly what is the problem, but when I run locally I get the following. Note that CircleCI is not configured to run VASP integration tests correctly so...
It's hard for newcomers to figure out how to do certain things in atomate. Examples: * the various "HSE" band structure options are not clear at all - some of...