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Add KspacingMetalHandler
to VASP _DEFAULT_HANDLERS
#600
Conversation
Hi @janosh, do you know why the tests are failing? |
Needs a |
Thanks @shyuep for attempting |
Hi @janosh, it seems like the custodian release isn't on Pypi? Are you able to push another one? |
Strange that the right version can't be found... |
hmmm... |
i would guess it's a cache issue. 80% sure this PR is safe to merge and will be green on main |
Thanks for double checking! |
In the context of materialsproject/custodian#298, @esoteric-ephemera and I noticed that
ScanMetalHandler
(nowKspacingMetalHandler
) is part of the default handler set inatomate1
but not used inatomate2
even though the new MP r2SCAN and all MatPES workflows useKSPACING
.This PR adds
KspacingMetalHandler
(requires newCustodian
release once materialsproject/custodian#298 is merged) to the VASP_DEFAULT_HANDLERS
. This should be safe to do since we fixed the handler in materialsproject/custodian#298 to not apply fixes on calculations that don't useKSPACING
.I also added a test for
_DEFAULT_HANDLERS
.