Dear LAMMPS users,
Happy New Year!
I converted a restart file to a data file. In the Atoms section, I find:
1 1 108.274 104.21 0 -4.8 1 -1 -1 0
The atom style is defined as
atom_style hybrid charge bond
what are the last four digits for in Atoms section?
Thank you for your help!
Dongsheng
Dear LAMMPS users,
Happy New Year!
I converted a restart file to a data file. In the Atoms section, I find:
1 1 108.274 104.21 0 -4.8 1 -1 -1 0
please check the documentation on read_data more carefully.
without seeing the whole input it is tricky to tell what each
number is supposed to mean, but have you considered the nx,
ny, and nz flags, that indicate the periodic image count?
cheers,
axel.
As the doc page for read_data indicates under the Atoms section,
the trailing 3 digits are the periodic image flags for the atom. The
1 is the molecule #, and the -4.8 is probably the charge.
Steve