Searched refs:qTotA (Results 1 – 1 of 1) sorted by relevance
222 static void sum_q(const t_atoms* atoms, int numMols, double* qTotA, double* qTotB) in sum_q() argument237 *qTotA += numMols * roundedMoleculeCharge(qmolA, sumAbsQA); in sum_q()