Fix TestMPStaticSet using MPRelaxSet in test_user_incar_kspacing and test_kspacing_override - #3268
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… test_user_incar_kspacing and test_kspacing_override
…wrong InputSet in a test
or you may need to set PMG_DEFAULT_FUNCTIONAL to PBE_52 or PBE_54 if you are using newer psps from VASP.
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d568f04 fix
TestMPStaticSetrunning withMPRelaxSetinstead ofMPStaticSetintest_user_incar_kspacingandtest_kspacing_override86f03de add
self.setattribute toInputSetTeststo make it harder to use the wrongInputSetin a testAgain, thanks for reporting @SophiaRuan.