Searched refs:minDistCharge1 (Results 1 – 1 of 1) sorted by relevance
656 ergo_real minDistCharge1 = 0; in compute_h_core_matrix_sparse() local666 minDistCharge1 = molecule.getAtom(j).charge; in compute_h_core_matrix_sparse()672 …SCF, "Charges for min dist: %9.5f (main) and %9.5f (extra)", (double)minDistCharge1, (double)minDi… in compute_h_core_matrix_sparse()