Config.in

#                                                         #
########### The Basic Parameters of Kick-Fukui ############
#                                                         #

# The Initial Population size (1000N, N = Atoms number)
initial_species = 5000

# Number of final geometries
final_species = 10

## Name of molecular species in the simulation
# File with the nucleophilic Fukui function
Mol_1 = f+koop-Si3.frag
# File with the electrophilic Fukui function 
Mol_2 = f-koop-Si9.frag

# Box size the sum of the sides from both molecules multiply for a factor (Default 1)
# The factor size or size of the box (in Angstroms) length, width, and height.
box_size_factor = 0.8

# Order Coulombic-Interaction Value (J) in a descending (YES) or scholastic (NO) manner 
energy_order = YES

# Search for duplicate molecular species (YES/NO)
duplicate_species = NO

# Output xyz file name 
output_file_name = Si12