# # Directory path for output files : Add "/" to the end of directory names. # Output.Directory.Name /home/koshoji/DTSPs/ # # Computational conditions : If you don't set, computer will use all of the threads. # Thread.Number # # Optimize parameters for search in the densest packings : If you don't set, the values become default. # Annealing.Maximum.Displacement.Upper 0.1 Annealing.Maximum.Displacement.Lower 0.03 Annealing.Iteration.Number 500 Annealing.Interval.To.Update.The.Neighboringlist 100 InitialPackingOptimize.Decrease.Factor 0.9995 InitialPackingOptimize.Iteration.Number 2500 InitialPackingOptimize.Interval.To.Update.The.Neighboringlist 200 PackingOptimize.Maximum.Displacement.Upper 0.05 PackingOptimize.Maximum.Displacement.Lower 0.02 PackingOptimize.Decrease.Factor 0.9997 PackingOptimize.Iteration.Number 40000 PackingOptimize.Interval.To.Update.The.Neighboringlist 300 # # Conditions for search in the densest packings. # Uniform.Generation.Ratio 0.3 FullOptimize.Structure.Number.In.Beginning 1000 Maximum.Trial.Number.For.Each.Composition 20000000 Threshold.Trial.Number.For.Judging.Convergence 20000000 Mesh.For.Packing.Fractions.Error 0.01 Mesh.For.InitialPackingOptimize.Packing.Fractions 0.01 Mesh.For.PackingOptimize.Packing.Fractions 0.01 Output.Minimum.Packing.Fraction 0.73 Output.Minimum.Overlap 0.000005000000 Output.MD.File OFF # # Re-optimize parameters : If you don't set, those values become default. # Maximum.Fluctuation 0.03 InitialAnnealing.Maximum.Displacement.Upper 0.05 InitialAnnealing.Maximum.Displacement.Lower 0.003 InitialAnnealing.Iteration.Number 500 InitialAnnealing.Interval.To.Update.The.Neighboringlist 200 DensestPackingOptimize.Maximum.Displacement.Upper 0.02 DensestPackingOptimize.Maximum.Displacement.Lower 0.001 DensestPackingOptimize.Decrease.Factor 0.9997 DensestPackingOptimize.Iteration.Number 80000 DensestPackingOptimize.Interval.To.Update.The.Neighboringlist 1000 # # Conditions for re-optimization and the output. # Number.Of.ReOptimize.Structures 20 Number.Of.Re-Optimization.For.Each.Structure 5000 Output.Minimum.Overlap.For.ReOptimization 0.000000000100 # # Set Radii Ratios : Write small balls in order from left to right. The maximum radius has to be 1.0. # # # Set the number of spheres in an unit cell : Write small balls in order from left to right. #