Auxiliary tools used in the optimization of sample configurations using
spatial simulated annealing.
Usage
objSPSANN(OSC, at = "end", n = 1)
Arguments
OSC
Optimized Sample Configuration.
at
Point of the optimization at which the energy state should be
returned. Available options: "start", for the start, and "end",
for the end of the optimization. Defaults to at = "end".
n
Number of instances that should be returned. Defaults to
n = 1.