[lammps-users] unexpected end of data file

Dear Lammps users,

I am receiving the unexpected end of data file error while running my input script.
I have used atom style full and hybrid/overlay pair style:

pair_style hybrid/overlay lj/cut 2.5 morse 3.0
pair_coeff 1 1 lj/cut 0.0 0.10 2.5
pair_coeff 1 2 morse 0.0 0.30 3.
pair_coeff 1 3 lj/cut 0.1 0.10 2.5
pair_coeff 2 2 lj/cut 0.0 0.10 2.5
pair_coeff 2 3 morse 0.1 3.0 3.
pair_coeff 3 3 lj/cut 0.10 1.0 2.5

I referred the following mailing list response from Axel and Steve:



For the atom style format “full”, i have written the specified format in the " Atoms" section. But still it shows the " unexpected end of file error".

Is the pair style hybrid/overlay causing the problem?. Any suggestions to fix this issue?

I have attached my datafile and the screenshot of the error message.

dataconfiguration2.LAMMPS (34.7 KB)

There is no problem reading the attached file with the latest patch version (14 May 2021)
with a minimal input.

atom_style full
units real
read_data dataconfiguration2.LAMMPS

it kinds of looks odd, though.

Yes axel. It looks different as the data was generated using python notebook,

and then imported in the LAMMPS input script. I have attached the image
that I have obtained in python. Its not fitting in the box dimension at all
after importing in LAMMPS and looks completely different.

that means somehow you didn’t write out a correctly formatted data file

I have attached the python script here axel
with the generated data

cylindera12.py (5.61 KB)

dataconfiguration2.LAMMPS (34.7 KB)

sorry, I don’t have the time to debug your python programming.

No problem, I understand. I will rewrite the format as you have suggested
thank you