Function QCM::add_cluster

• Defined in File QCM.cpp

Function Documentation

void QCM::add_cluster(const vector3D<int64_t> &cpos, const vector<vector3D<int64_t>> &pos, int ref, bool conj)

Adds a cluster to the supercluster (or repeated unit)

Adds a cluster to the repeated unit.

Parameters:

• cpos – base position of the cluster

• pos – array of the positions of the different sites of the cluster, with respect to the base position of the cluster

• ref – if cluster is equivalent to another cluster, index of that cluster. If not, -1.

• conj – true if cluster is equivalent to the complex conjugate of its master