Shyam Dwaraknath
Shyam Dwaraknath
I'm actually wondering if there is any interest in refactoring out a lot of the core functionality into an `artisan-lib` that enables programmatic use of the device interface and associated...
Hopefully this works on the main repo and not just my fork. I think the big issue is actually `nose` which is no longer supported in Python 3.10 The other...
Right now, I'm hackishly using _makedos to do this myself but it would be really nice if there was an option in get_plot to produce a vertical plot or a...
It would be nice if `qlaunch` would output the underlying error message when a job submitted to the queue fails.
Currently there is a my_launchpad.yaml, a my_qadapter.yaml, and a FW_Config. Additionally codes like atomate add on additional configuration files. it would be nice if there was a way to supply...
It would be really nice if detect_lostruns could also recover task information somehow so that you could recover at the running task.
This repo appears like a reasonable place to post an API issue although it has nothing to do with the new MP API. I'm suggesting the README gets updated to...
Requesting an example notebook of using the transformations framework in pymatgen to create structures with full provenance of how they were generated. - using various transformations - chaining transformations -...
This is for @shyuep 's group. Can the FEFF parsing be converted to a Drone that can: - ingest any kind of FEFF calculation including extra files such as `custodian.json`...
Currently atomate has a lot of default values for parameters in the input sets that are already defined in pymatgen. It would be good to remove those from atomate so...