Hi all,
I am a beginner in LAMMPS user family. I have a square lattice where
the particles are connected by harmonic bonds as well as they have
'lj/cut' pair style between them. Now I am facing a problem regarding
specifying the bond coefficient where the error message showing
'Numeric index is out of bounds'. after repeated cross-checking i
could not resolve the issue. I am posting my input script here as
well.
# 2d Lennard-Jones melt and subsequent energy minimization
units lj
dimension 2
boundary p p p
atom_style bond
lattice sq 1.0
region box block 0 10.0 0 10.0 -0.1 0.1
create_box 1 box
create_atoms 1 box
mass 1 1.0
bond_style harmonic
bond_coeff 1 1.0 1.0
velocity all create 0.2 87287 mom yes rot yes dist gaussian
pair_style lj/cut 2.5
#pair_coeff * * 1 1
pair_coeff 1 1 0.01 1.0
timestep 0.001
neighbor 2.0 bin
neigh_modify delay 0 every 1 check yes
fix 1 all nve
fix 2 all enforce2d
dump 1 all atom 1000 dump.min.*
thermo 10000
# 1 2 3 4 5
thermo_style custom step pe temp etotal ebond
thermo_modify lost error flush yes norm yes
run 100000
Will be extremely thankful if you can way me out.
thanks