Ellipsoid.model

The ellipsoid.model file is used to specify the parametric model that GenCoords uses to arrange a set of ellipsoids in a starting pattern. The file has the following format:

---

modelType Np Nc Ne aMult rMult

param1

param2

...

paramNp

---

• modelType specifies which of the GenCoords Models is to be used define the distribution of ellipsoids.
• np is the number of parameters needed to drive that model.
• nc is the number of clusters
• ne is the number of ellipsoids in each cluster.
• aMult is a scaling factor for the attractive PY potential and is dumped into the 4th column of the pysites.xyz file.
• rMult is a scaling factor for the repulsive PY potential and is dumped into the 5th column of the pysites.xyz file.
• param1, param2,... , paramNp are the n parameters needed by that model and are model specific.