restart file redifinition

Dear Lammpsers,

Having read documentation (below for your convenience), I realise that settings of the restart files can be redefined after the restart file is read; just to make sure this is the case: if I have a coefficient in the input file that is different from the restart file, is it going to be the input script value that is read by lammps? I have tried to look at log files and cannot really see for sure that this is the case.

“A restart file stores the following information about a simulation: units and atom style, simulation box size and shape and boundary settings, group definitions, per-type atom settings such as mass, per-atom attributes including 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.”

With best wishes,
Anna

Dear Lammpsers,

Having read documentation (below for your convenience), I realise that
settings of the restart files can be redefined after the restart file is
read; just to make sure this is the case: if I have a coefficient in the
input file that is different from the restart file, is it going to be the
input script value that is read by lammps? I have tried to look at log files
and cannot really see for sure that this is the case.

if you want to override parameters from the restart, you will have to
issue them *after* the read_restart command.
a simple way to verify parameters would be to use the write_data
command with the pair "ij" flag.

axel.

LAMMPS scripts are processed in order. So if you set

a param, then read a restart file, the file can overwrite the

param. If you read a restart file, then set a param,

the setting can override what was in the restart file.

Steve