Simple model to visualize H2

LAMMPS LAMMPS Beginners
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1

Dear users, I am just trying to visualize a simple molecule like H₂ with its bond, but I am encountering an error when running the program:

LAMMPS-GUI Error

ERROR: Numeric index 1 is out of bounds (1-0) (src/MOLECULE/bond_harmonic.cpp:129)

I am using this part in the script:

bond_style harmonic
bond_coeff 1 450.0 0.74
create_bonds 1 1 2

Thank you in advance for your help
MG

2

But this is not the part that matters.

You need to reserve space for bond types and bonds per atom and special neighbors per atom and use a suitable atom style before you can define bonds.

This problem has come up many times before, so you can search through the archives and read previous, more detailed explanations.

3

Thank you for your answer, I will search through the archives :+1: