资 源 简 介
Oracle is a crystal structure prediction program based upon simulated annealing. It can utilize any combination of the following:
* Extended Hückel
* Electrostatic potential
* Lennard-Jones potential
* Hard sphere repulsion
Oracle is based upon a family of C++ classes, the CrystalClasses. While this project uses the CrystalClasses for simulated annealing, they are easily adapted to other forms of optimization, such as genetic algorithms.
