Searched refs:values_S (Results 1 – 1 of 1) sorted by relevance
2275 std::vector<ergo_real> values_S(nvalues); in get_mulliken_charges() local2277 values_S[i] = 0; in get_mulliken_charges()2280 values_S, in get_mulliken_charges()2290 resultVector[atomIndex1] += 0.5 * values_D[i] * values_S[i]; in get_mulliken_charges()2291 resultVector[atomIndex2] += 0.5 * values_D[i] * values_S[i]; in get_mulliken_charges()