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/dports/science/bagel/bagel-1.2.2/src/wfn/
H A Dlocalization.cc190 for(int& imixed : mixed) jacobi->rotate(iocc, imixed); in localize_space() local
194 for(int& imixed : mixed) { in localize_space() local
195 for(int& ivirt : virt) jacobi->rotate(imixed, ivirt); in localize_space()
215 for(int& imixed : mixed) { in localize_space() local
216 if (ortho_density->element(imixed,imixed) > 1.5) { in localize_space()
217 copy_n(localized_coeffs.element_ptr(0,imixed), nbasis, out->element_ptr(0,imo)); in localize_space()