Fix: fix a bug in diago_elpa_native.cpp #5155
Merged
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Background
Under multi-k situation, the size of
psi
andeigenvectors
are different. Directly assigning the eigenvectors solved byelpa_generalized_eigenvectors
topsi
will lead to array out-of-bounds errors. The cusolvermp related code has the same problem, which is also fixed in this PR.