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/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/solvent/
H A Dbem.cc192 double charge_neg = 0.0; in normalize_charge() local
197 else charge_neg += charges[i]; in normalize_charge()
202 if (charge_pos > 1.0e-4 && charge_neg < -1.0e-4) { in normalize_charge()
204 scale_neg += (expected_charge-charge)/(2.0*charge_neg); in normalize_charge()
209 else if (charge_neg < -1.0e-4) { in normalize_charge()
210 scale_neg += (expected_charge-charge)/charge_neg; in normalize_charge()