Simple changes to TaskDoc structure: during post init, the run_type, task_type and calc_type (union of the previous two) are always updated to ensure that these are consistent with subsequent bug fixes. Previously, these were only updated if task_type was None.
This change is motivated by #960, where the run_type was incorrectly determined for any non-GGA run and some discussions with @mkhorton. By re-initializing a TaskDoc from a dict, these changes would correctly populate the three fields.
The source of the bug in 960 is separately fixed in #1026. This change would also ensure that 1026 also patches fields in legacy TaskDocs
munrojm
commented
2 weeks ago
Simple changes to
TaskDocstructure: during post init, therun_type,task_typeandcalc_type(union of the previous two) are always updated to ensure that these are consistent with subsequent bug fixes. Previously, these were only updated iftask_typewasNone.This change is motivated by #960, where the
run_typewas incorrectly determined for any non-GGA run and some discussions with @mkhorton. By re-initializing aTaskDocfrom a dict, these changes would correctly populate the three fields.The source of the bug in 960 is separately fixed in #1026. This change would also ensure that 1026 also patches fields in legacy TaskDocs