/*
* Setup cell list for use.
*/
void
Generator::setupCellList(int atomCapacity,
Boundary& boundary,
const DArray<double>& diameters,
CellList& cellList)
{
// Set maximum atom id = atomCapacity - 1, and allocate
// arrays in cellList that are indexed by atom id
cellList.setAtomCapacity(atomCapacity);
// Compute maximum exclusion diameter
double maxDiameter = 0.0;
for (int iType = 0; iType < diameters.capacity(); iType++) {
if (diameters[iType] > maxDiameter) {
maxDiameter = diameters[iType];
}
}
// Setup grid of empty cells
cellList.setup(boundary, maxDiameter);
}
