Hi all,
I want to restart a simulation for another 100000steps by using the results of a previous run.I want to ask whether the restart input file will consider the velocity command or not (there is no change in the way velocity will be computed). Thanks in advance!Jim
Jim,
Atom velocities are stored in the restart file. If in doubt, you could
convert the restart file to a data file using the restart2data.cpp
code, then look for the velocities definition section. If you issue a
velocity command after the read_restart command, the atom velocities
will be modified accordingly. See the velocity command page:
http://lammps.sandia.gov/doc/velocity.html
And the read restart command page:
http://lammps.sandia.gov/doc/read_restart.html
Especially this paragraph:
"A restart file stores the following information about a simulation:
units and atom style, simulation box size and shape and boundary
settings, group definitions, atom type settings such as mass and
particle shape, individual atoms and their group assignments and
molecular topology attributes, force field styles and coefficients,
and special_bonds settings. This means that commands for these
quantities do not need to be re-specified in the input script that
reads the restart file, though you can redefine settings after the
restart file is read."
The above paragraph should probably also state that the atom positions
and velocities are also stored in the restart file.
Paul