Fix KspacingMetalHandler
triggering on runs that don't use KSPACING
#298
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@esoteric-ephemera and I noticed that the
KspacingMetalHandler
(formerlyScanMetalHandler
) triggers even for runs that don't useKSPACING
due to using a bad fallback value incustodian/custodian/vasp/handlers.py
Lines 1185 to 1195 in 6019d60
If
"KSPACING"
is not inv.incar
this check will still returnTrue
and apply the correspondingKSPACING
reduction correction.@rkingsbury Would be great to get your feedback on this in case we overlooked something.
The reason for renaming to
KspacingMetalHandler
(ScanMetalHandler
is still around but deprecated) is thatKSPACING
is not specific to SCAN and in fact may in the future be used by the MP GGA workflows as well.We added a test in 6019d60 to make sure the handler does not trigger on an INCAR that doesn't specify
KSPACING
.Pinging @Andrew-S-Rosen, @utf, @JaGeo in case you'd like to chime in.