Tweak unconverged, bravais and den-/tet error handling #284
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Codecov ReportPatch coverage:
Additional details and impacted files@@ Coverage Diff @@
## master #284 +/- ##
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Coverage 66.04% 66.04%
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Files 51 51
Lines 5549 5549
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Hits 3665 3665
Misses 1884 1884
☔ View full report in Codecov by Sentry. |
decrease default symprec 1e-5->1e-6, then try 10xing twice, then set ISYM=0 to not impose potentially artificial symmetry from too loose symprec on charge density
janosh
changed the title
UnconvergedErrorHandler only set algo to normal if ISMEAR>=0…S"].kpts) E TypeError: can't multiply sequence by non-int of type 'float'
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@janosh: In the future, can we please not merge in PRs that change handlers in non-trivial ways without it being reviewed by another individual? The changes here to the "tet" handler are not good. |
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225a1e8 UnconvergedErrorHandler only set algo to normal if ISMEAR>=0
608530b mv custodian/feff/tests/test_handler{,s}.py
c11ab49 tweak bravais error handling in VaspErrorHandler
283fe9d improve den-/tet error handling in case of not using kspacing
bc02285 fix VaspErrorHandlerTest.test_bravais