Hi all,
I am trying to generate harmonic bonds between two types of atoms (out of four atom types) during run. For that I am defining bond coefficients at start. But I am getting error that Numeric index is out of bound. I have given below the log file contents. What’s wrong? Where can I find those bounds?
And also is it fine if I give atom style of bond for all atoms if I generate bonds for fraction of atoms?
log file contents
units lj
dimension 3
boundary p p p
atom_style bond
neighbor 0.5 bin
neigh_modify delay 5
lattice fcc 0.81
Lattice spacing in x,y,z = 1.70291 1.70291 1.70291
region box block 0 8 0 9 0 3
create_box 4 box
Created orthogonal box = (0 0 0) to (13.6233 15.3262 5.10873)
1 by 1 by 1 MPI processor grid
create_atoms 1 box
Created 864 atoms
region 1 block 0 8 0 9 0 3
group whole region 1
864 atoms in group whole
mass 1 1.0
mass 2 1.0
mass 3 1.0
mass 4 1.0
special_bonds lj 0 1 1 extra 2
0 = max # of 1-2 neighbors
0 = max # of 1-3 neighbors
0 = max # of 1-4 neighbors
2 = max # of special neighbors
bond_style harmonic
bond_coeff 1 1.0 1.0
ERROR: Numeric index is out of bounds (force.cpp:666)