Commit c660a813 authored by sjplimp's avatar sjplimp
Browse files

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15756 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent 96eaa5d5
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+20 −10
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@@ -163,16 +163,26 @@ info on how to re-specify a fix in an input script that reads a
restart file, so that the operation of the fix continues in an
uninterrupted fashion.

Note that info about region definitions is NOT included in restart
files.  So you must re-define your region and if it is a moving
region, define its motion attributes in a way that is consistent with
the simulation that wrote the restart file.  In particular, if you
want to change its motion attributes (e.g. its velocity), then you
should insure the postition/orientation of the region at the initial
restart timestep is the same as it was on the timestep the restart
file was written.  If this is not possible, then you may need to
ignore info in the restart file by defining a new fix wall/gran/region
command in your restart script (e.g. with a different fix ID).
NOTE: Information about region definitions is NOT included in restart
files.  This means that in a restart script you must re-define a
region to associate with this fix in a consistent manner with how a
region was used in the original script (same style, ID, geometric
attributes).  If it is a moving region, you should also define its
motion attributes consistent with the original simulation that wrote
the restart file.  If you use a region that is a union or intersection
of sub-regions, LAMMPS will do some limited checking that the new
region is consistent with the one defined in the previous script
before reassigning the motion attributes, but does not currently check
recursively down a nested tree of union or intersection regions.  Note
that if you want to change the region's motion attributes in the
restart run (e.g. its velocity), then you should insure the
postition/orientation of the region at the initial restart timestep is
the same as it was on the timestep the restart file was written.
Otherwise the position of the region may make an instantanous jump
when the restart simulation begins.  If this is not easy or possible,
then you can just ignore info in the restart file by defining a new
fix wall/gran/region command in your restart script (e.g. with a
different fix ID).

None of the "fix_modify"_fix_modify.html options are relevant to this
fix.  No global or per-atom quantities are stored by this fix for
+17 −12
Original line number Diff line number Diff line
@@ -197,12 +197,13 @@ was used in the input script that wrote the restart file.
If a match is found, LAMMPS prints a message indicating that the fix
is being re-enabled.  If no match is found before the first run or
minimization is performed by the new script, the "state" information
for the saved fix is discarded.  LAMMPS will also print a list of
fixes for which the information is being discarded.  See the doc pages
for individual fixes for info on which ones can be restarted in this
manner.  Note that fixes which are created internally by other LAMMPS
commands (computes, fixes, etc) will have style names which are
all-capitalized, and IDs which are generated internally.
for the saved fix is discarded.  At the time the discard occurs,
LAMMPS will also print a list of fixes for which the information is
being discarded.  See the doc pages for individual fixes for info on
which ones can be restarted in this manner.  Note that fixes which are
created internally by other LAMMPS commands (computes, fixes, etc)
will have style names which are all-capitalized, and IDs which are
generated internally.

Likewise, the "computes"_fix.html used for a simulation are not stored
in the restart file.  This means the new input script should specify
@@ -219,12 +220,16 @@ described in the previous paragraph, so that the compute can continue
its calculations in a consistent manner.

NOTE: There are a handful of commands which can be used before or
between runs which require a system initialization.  Examples include
the "balance", "displace_atoms", and "delete_atoms" commands.  This is
because they may migrate atoms to new processors.  Thus they will also
discard unused "state" information from fixes.  This means that, if
desired, you must re-specify the relevant fixes and computes (which
create fixes) before those commands are used.
between runs which may require a system initialization.  Examples
include the "balance", "displace_atoms", "delete_atoms", "set" (some
options), and "velocity" (some options) commands.  This is because
they can migrate atoms to new processors.  Thus they will also discard
unused "state" information from fixes.  You will know the discard has
occurred because a list of discarded fixes will be printed to the
screen and log file, as explained above.  This means that if you wish
to retain that info in a restarted run, you must re-specify the
relevant fixes and computes (which create fixes) before those commands
are used.

Some pair styles, like the "granular pair styles"_pair_gran.html, also
use a fix to store "state" information that persists from timestep to