I want to use an atom-style hybrid molecular sphere and have a written data file corresponding to it, but while execution, it shows this error. I have used this format to write data file for this atom style:
Atom_ID atom-type x y z molecule_ID diameter density
Can someone confirm if it is the right format for this atom style, or do I have to change it?
What you describe is confirmed to be the correct format for the current version of LAMMPS as documented in read_data command — LAMMPS documentation
This is confirmed with the following minimal data file (hybrid.data):
Demo data file
1 atoms
1 atom types
-5 5 xlo xhi
-5 5 ylo yhi
-5 5 zlo zhi
Atoms
1 1 0.0 0.0 0.0 1 1.0 1.0
and the following input file (in.hybrid):
atom_style hybrid molecular sphere
read_data hybrid.data
Which produces the following output when run with LAMMPS:
$ ./lmp -in in.hybrid
LAMMPS (2 Jul 2021)
using 1 OpenMP thread(s) per MPI task
WARNING: Atom style hybrid defines both, per-type and per-atom masses; both must be set, but only per-atom masses will be used (src/atom_vec_hybrid.cpp:157)
Reading data file ...
orthogonal box = (-5.0000000 -5.0000000 -5.0000000) to (5.0000000 5.0000000 5.0000000)
1 by 1 by 1 MPI processor grid
reading atoms ...
1 atoms
Finding 1-2 1-3 1-4 neighbors ...
special bond factors lj: 0 0 0
special bond factors coul: 0 0 0
0 = max # of 1-2 neighbors
0 = max # of 1-3 neighbors
0 = max # of 1-4 neighbors
1 = max # of special neighbors
special bonds CPU = 0.000 seconds
read_data CPU = 0.002 seconds
Total wall time: 0:00:00