#log none
#echo none

# if use_type = 1 bonds are created correctly
# if use_type = 2 bonds are not created
# yet there is no difference between type 1 and type 2 atoms
variable	use_type	equal	1

variable	Temperature		equal	0.2 ## temperature, where eps_LJ = 1
dimension	2
boundary	p p p
atom_style	molecular
neighbor	0.5 bin
neigh_modify	delay 5

lattice		sq	1
units 		lj
variable	dt_integration	equal	0.005 
timestep  	${dt_integration}

region  SimRegion block 0 100 0 100 -10 10
create_box 2 SimRegion bond/types 1 angle/types 1 extra/bond/per/atom 8 extra/angle/per/atom 1 extra/special/per/atom 12

variable        eps          	equal   1
variable        sigma        	equal   1
variable        cut          	equal   ${sigma}*2^(1.0/6.0)

pair_style 	lj/cut 3
pair_coeff      * * ${eps} ${sigma} ${cut}
pair_modify shift yes


mass    	*	1
comm_style	brick
comm_modify 	cutoff	2

bond_style nonlinear
variable	L_bond	equal	1
variable	Lambda_bond	equal	0.9*${L_bond}
variable	K_bond	equal	${eps}
bond_coeff 	1 ${K_bond} ${L_bond} ${Lambda_bond}
special_bonds fene


variable	bond_type	equal	1

create_atoms 	1 random 1000 12345 SimRegion 
fix BondCreate_11 all bond/create 1 ${use_type} ${use_type} ${cut} ${bond_type} iparam 3 ${use_type} jparam 3 ${use_type}

compute Topology all property/local btype
compute Nbond all reduce sum c_Topology

#I expected c_Nbond to be an integer, the number of bonds, while it is a real number 
thermo_style	custom step atoms pe ke press c_Nbond 
minimize 1e-5 1e-5 10000 10000 

fix Langevin all langevin ${Temperature} ${Temperature} 0.1 123321
fix nve all nve
thermo 100

run	100000