Bonds defined but no bond types

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1

When I use the read_data command to read the copper data file and the water data file, I get an error,Bonds defined but no bond types.A part of the input file before the error and the data file of the water I got are as follows, I hope the problem can be solved.

units real

atom_style full

bond_style harmonic

kspace_style pppm 0.0001

echo screen

read_data copper.data extra/atom/types 1 nocoeff

read_data water.data add append offset 1 2 0 0 0 nocoeff shift 0.0 0.0 0.0

LAMMPS data file via write_data, version 12 Dec 2018, timestep = 0

6000 atoms
2 atom types
4000 bonds
1 bond types
2000 angles
1 angle types

0.0000000000000000e+00 4.0000000000000000e+00 xlo xhi
0.0000000000000000e+00 4.0000000000000000e+00 ylo yhi
0.0000000000000000e+00 4.0000000000000000e+00 zlo zhi

Masses

1 15.9994
2 1.008

Pair Coeffs # lj/cut/coul/long

1 0.1553 3.166
2 0 0

Bond Coeffs # harmonic

1 600 1

Atoms # full

1 1 1 -8.4719999999999995e-01 5.5025879963616586e-01 1.1897577277986704e+00 8.8598693997695976e-01 0 0 0

…

2

your read_data commands are, obviously, incorrect.

please note that the documentation for read_data explains that all dimensions of atom/bond/angle/dihedral/improper types and storage per atom as well as special bond settings are “locked in” with the first read_data command. thus if you add a second data file with additional requirements, e.g. bond types or more atom types, you have to reserve sufficient space for all of them as “extra//” flags with the first read_data command.

you have only: extra/atom/types 1. that is clearly insufficient. when you want to add water. you need to reserve two atom types, also space for bond and angle types, bonds per atom angles per atom and special pairs per atom.

with this information in your mind, please re-read the read_data documentation and update your input accordingly.

axel.