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/dports/science/ergo/ergo-3.8/source/scf/
H A Dscf_utils.cc769 std::vector<ergo_real> diagonalValues(n); in add_disturbance_to_matrix() local
773 diagonalValues[i] = 0; in add_disturbance_to_matrix()
785 diagonalValues[i] = randomNumber * disturbance; in add_disturbance_to_matrix()
795 diagonalValues[idx] = disturbance; in add_disturbance_to_matrix()
807 diagonalValues, in add_disturbance_to_matrix()
822 std::vector<ergo_real> diagonalValues(n); in get_simple_starting_guess_sparse() local
826 diagonalValues[i] = (ergo_real)noOfElectrons / n; in get_simple_starting_guess_sparse()
833 densityMatrix.assign_from_sparse(rowind, colind, diagonalValues); in get_simple_starting_guess_sparse()
845 std::vector<ergo_real> diagonalValues(n); in get_diag_matrix_from_file() local
890 diagonalValues[i] = atof(p); in get_diag_matrix_from_file()
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