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Searched defs:S_qMM (Results 1 – 3 of 3) sorted by relevance

/dports/science/py-gpaw/gpaw-21.6.0/gpaw/lcao/
H A Datomic_correction.py33 def add_overlap_correction(self, S_qMM): argument
H A Dprojected_wannier.py161 def convert_projection_data(symbols, V_qnM, H_qMM, S_qMM, P_aqMi, argument
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/
H A Dkohnsham_layouts.py464 def distribute_overlap_matrix(self, S_qMM, root=0, argument