Dear Lammps experts
I used the tool restart2data to convert a restart file. and in the atoms section I see a output like the one in below. Are the values that I interpreted correct.
Atoms
2000 65 13 0.0000000000000000e+00 -4.3861724608458125e-01 -4.9962370209304279e+00 -1.2702551374734995e+02 0 0 0
Atomnum group type charge x-coord y-coord z-coord force x y z
Thanks
Milinda Samaraweera
Computational materials chemistry and Computer programming
University of Connecticut
Department of Chemistry
55 N Eagleville road
unit 3060
Storrs CT
USA
Dear Lammps experts
I used the tool restart2data to convert a restart file. and in the atoms
section I see a output like the one in below. Are the values that I
interpreted correct.
no.
the format of the data file depends on the atom style use and is
documented with the read data command.
Atoms
2000 65 13 0.0000000000000000e+00 -4.3861724608458125e-01
-4.9962370209304279e+00 -1.2702551374734995e+02 0 0 0
Atomnum group type charge x-coord y-coord
z-coord force x y z
there is no force information in the data file. it would be utterly
useless, since the computation of the forces is the primary work that
LAMMPS does. what you list as "force" are the image flags.
for more details, check out the read_data documentation.
axel.