Max force handler and r2scan fixes - #778

Merged

Zhuoying merged 9 commits into

hackingmaterials:mainfrom

MichaelWolloch:MaxForceHandler_and_R2SCAN_FIX

Aug 16, 2023

Commits on Jul 28, 2023

Removed MaxForceHandler because it is removed from custodian since v2023.5.7 https://materialsproject.github.io/custodian/changelog.html#v2023-5-7
MichaelWolloch
committed
889b729
Updated BPARAM from 15.7 (appropriate for SCAN+rVV10) to 11.95 (appropriate for R2SCAN+rVV10)
MichaelWolloch
committed
28162fb
removed max_force_threshold and RELAX_MAX_FORCE (its default) from the code. Those worked as an input for the removed MaxForceErrorHandler
MichaelWolloch
committed
f837799
Changed the BPARAM value also for the test file.
MichaelWolloch
committed
018db1b

Commits on Aug 1, 2023

Commits on Aug 2, 2023