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Domain specific library for electronic structure calculations
BSD 3-Clause "New" or "Revised" License
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[enhancement] cleanup tests
#871
Closed
toxa81
closed
1 year ago
toxa81
commented
1 year ago
restore some and remove other tests
fix lda+u+v for the case of no symmetry (non-local part of the occupation matrix has to be copied)
fix atom index in application of LAPW Hamiltonian