Searched refs:customAtomArray (Results 1 – 5 of 5) sorted by relevance
132 std::vector<double> customAtomArray = in getRDFDescCustom() local141 res += customAtomArray[j] * customAtomArray[k] * p; // "custom" in getRDFDescCustom()
135 std::vector<double> customAtomArray = in getMORSEDescCustom() local149 res1 += customAtomArray[j] * customAtomArray[k] * p; // "custom" in getMORSEDescCustom()
95 std::vector<double> customAtomArray(numAtoms, 1.0); in GetCustomAtomProp() local97 atom->getPropIfPresent(customAtomPropName, customAtomArray[atom->getIdx()]); in GetCustomAtomProp()99 return customAtomArray; in GetCustomAtomProp()
193 std::vector<double> customAtomArray = in get3DautocorrelationDescCustom() local195 VectorXd Wc = getEigenVect(customAtomArray); in get3DautocorrelationDescCustom()
437 std::vector<double> customAtomArray = in getGETAWAYDescCustom() local439 VectorXd Wc = getEigenVect(customAtomArray); in getGETAWAYDescCustom()