Searched refs:charge_pos (Results 1 – 3 of 3) sorted by relevance
191 double charge_pos = 0.0; in normalize_charge() local196 if (charges[i] > 0.0) charge_pos += charges[i]; in normalize_charge()202 if (charge_pos > 1.0e-4 && charge_neg < -1.0e-4) { in normalize_charge()203 scale_pos += (expected_charge-charge)/(2.0*charge_pos); in normalize_charge()206 else if (charge_pos > 1.0e-4) { in normalize_charge()207 scale_pos += (expected_charge-charge)/charge_pos; in normalize_charge()
425 std::string::size_type charge_pos = line.find("CHELPG Charges"); in GetCharges() local427 if (charge_pos != std::string::npos) { in GetCharges()