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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13630 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-07-17 15:02:10 +00:00
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doc/read_restart.html
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@ -30,14 +30,16 @@ read_restart poly.*.% remap
</PRE>
<P><B>Description:</B>
</P>
<P>Read in a previously saved simulation from a restart file. This
allows continuation of a previous run. Information about what is
stored in a restart file is given below. Basically this operation
will re-create the simulation box with all its atoms and their
attributes, at the point in time it was written to the restart file by
a previous simluation. The simulation box will be partitioned into a
regular 3d grid of rectangular bricks, one per processor, based on the
number of processors in the current simulation and the settings of the
<P>Read in a previously saved system configuration from a restart file.
This allows continuation of a previous run. However, not the entire
state of a simulation can be saved and read back. Details about what
information is stored in a restart file is given below. Basically
this operation will re-create the simulation box with all its atoms
and their attributes as well as some related global settings, at the
point in time it was written to the restart file by a previous
simluation. The simulation box will be partitioned into a regular 3d
grid of rectangular bricks, one per processor, based on the number of
processors in the current simulation and the settings of the
<A HREF = "processors.html">processors</A> command. The partitioning can later be
changed by the <A HREF = "balance.html">balance</A> or <A HREF = "fix_balance.html">fix
balance</A> commands.
@ -137,22 +139,25 @@ written and read using MPI-IO.
<HR>
<P>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
units, atom style and atom style related settings (<I>id</I>, <I>map</I>,
<I>sort</I>), communication settings (<I>mode</I>, <I>cutoff</I>, <I>vel</I>), timestep,
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 - in most cases - force field coefficients, and
<A HREF = "special_bonds.html">special_bonds</A> 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.
</P>
<P>One exception is that some pair styles do not store their info in
restart files. Typically these are many-body potentials which read
their parameters from separate files; you need to re-specify the <A HREF = "pair_style.html">pair
style</A> and <A HREF = "pair_coeff.html">pair coeff</A> commands in
your restart input script. The doc pages for individual pair styles
note if this is the case. This is also true of bond_style hybrid (and
angle_style, dihedral_style, improper_style hybrid).
<P>One exception is that some force styles do not store their coefficient
info in restart files. Typically these are many-body or tabulated
potentials which read their parameters from separate files;
you may need to re-specify the <A HREF = "pair_style.html">pair style</A> and
<A HREF = "pair_coeff.html">pair coeff</A> commands in your restart input script.
The doc pages for individual pair styles mention if this is the case.
This is also true of bond_style hybrid (and angle_style, dihedral_style,
improper_style hybrid).
</P>
<P>All settings made by the <A HREF = "pair_modify.html">pair_modify</A> command, such
as the shift and tail settings, are stored in the restart file with