Support Machine-Readable Output
FHI-aims has a machine-readable output (in the JSON file format) that I've been developing for usage in automated workflows. It is enabled via the
output json_log keyword in
control.in, and various quantities (versioning, calculation settings, geometry, timings, Mulliken analysis, DOS) will be output to an
aims.json file. (This output is in addition to aims' normal output to STDOUT.)
If possible, I would like this file format to be supported by GIMS as an alternative to aims's normal output or control.in/geometry.in files. .