git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11847 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2014-04-30 15:17:18 +00:00
parent 2cf0a3bafa
commit 2376ea9cb3
4 changed files with 29 additions and 21 deletions

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@ -131,7 +131,7 @@ and box information.
</P>
<P>The dump file is scanned for a snapshot with a time stamp that matches
the specified <I>Nstep</I>. This means the LAMMPS timestep the dump file
snapshot was written on for the <I>native</I> format. However, the <I>xyz</I>
snapshot was written on for the <I>native</I> format. Note that the <I>xyz</I>
and <I>molfile</I> formats do not store the timestep. For these formats,
timesteps are numbered logically, in a sequential manner, starting
from 0. Thus to access the 10th snapshot in an <I>xyz</I> or <I>mofile</I>

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@ -121,7 +121,7 @@ and box information.
The dump file is scanned for a snapshot with a time stamp that matches
the specified {Nstep}. This means the LAMMPS timestep the dump file
snapshot was written on for the {native} format. However, the {xyz}
snapshot was written on for the {native} format. Note that the {xyz}
and {molfile} formats do not store the timestep. For these formats,
timesteps are numbered logically, in a sequential manner, starting
from 0. Thus to access the 10th snapshot in an {xyz} or {mofile}

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@ -115,17 +115,21 @@ every Nth snapshot is read, where N = <I>Nskip</I>. E.g. if <I>Nskip</I> = 3,
then only 1 out of every 3 snapshots is read, assuming the snapshot
timestamp is also consistent with the other criteria.
</P>
<P>The <I>start</I> and <I>stop</I> keywords have the same meaning that they do for
the <A HREF = "run.html">run</A> command. They only need to be defined if (a) you
are using a <A HREF = "fix.html">fix</A> command that changes some value over time,
and (b) you want the reference point for elapsed time (from start to
stop) to be different than the <I>first</I> and <I>last</I> settings. See the
doc page for individual fixes to see which ones can be used with the
<I>start/stop</I> keywords. Note that if you define neither of the
<I>start</I>/<I>stop</I> or <I>first</I>/<I>last</I> keywords, then LAMMPS treats the
<P>The <I>start</I> and <I>stop</I> keywords do not affect which snapshots are read
from the dump file(s). Rather, they have the same meaning that they
do for the <A HREF = "run.html">run</A> command. They only need to be defined if
(a) you are using a <A HREF = "fix.html">fix</A> command that changes some value
over time, and (b) you want the reference point for elapsed time (from
start to stop) to be different than the <I>first</I> and <I>last</I> settings.
See the doc page for individual fixes to see which ones can be used
with the <I>start/stop</I> keywords. Note that if you define neither of
the <I>start</I>/<I>stop</I> or <I>first</I>/<I>last</I> keywords, then LAMMPS treats the
pseudo run as going from 0 to a huge value (effectively infinity).
This means that any quantity that a fix scales as a fraction of
elapsed time in the run, will essentially remain at its intiial value.
Also note that an error will occur if you read a snapshot from the
dump file with a timestep value larger than the <I>stop</I> setting you
have specified.
</P>
<P>The <I>dump</I> keyword is required and must be the last keyword specified.
Its arguments are passed internally to the <A HREF = "read_dump.html">read_dump</A>
@ -161,9 +165,9 @@ atoms are acquired from far enough away for operations like bond and
angle evaluations, if no pair style is being used.
</P>
<P>Every time a snapshot is read, the timestep for the simulation is
reset, as if the <A HREF = "reset_timestep.html<A HREF = "fix_deposit.html">>reset_timestep</A> command were
reset, as if the <A HREF = "reset_timestep.html">reset_timestep</A> command were
used. This command has some restrictions as to what fixes can be
defined. See its doc page for details. For example, the fix
defined. See its doc page for details. For example, the <A HREF = "fix_deposit.html">fix
deposit</A> and <A HREF = "fix_dt_reset.html">fix dt/reset</A> fixes
are in this category. They also make no sense to use with a rerun
command.

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@ -109,17 +109,21 @@ every Nth snapshot is read, where N = {Nskip}. E.g. if {Nskip} = 3,
then only 1 out of every 3 snapshots is read, assuming the snapshot
timestamp is also consistent with the other criteria.
The {start} and {stop} keywords have the same meaning that they do for
the "run"_run.html command. They only need to be defined if (a) you
are using a "fix"_fix.html command that changes some value over time,
and (b) you want the reference point for elapsed time (from start to
stop) to be different than the {first} and {last} settings. See the
doc page for individual fixes to see which ones can be used with the
{start/stop} keywords. Note that if you define neither of the
{start}/{stop} or {first}/{last} keywords, then LAMMPS treats the
The {start} and {stop} keywords do not affect which snapshots are read
from the dump file(s). Rather, they have the same meaning that they
do for the "run"_run.html command. They only need to be defined if
(a) you are using a "fix"_fix.html command that changes some value
over time, and (b) you want the reference point for elapsed time (from
start to stop) to be different than the {first} and {last} settings.
See the doc page for individual fixes to see which ones can be used
with the {start/stop} keywords. Note that if you define neither of
the {start}/{stop} or {first}/{last} keywords, then LAMMPS treats the
pseudo run as going from 0 to a huge value (effectively infinity).
This means that any quantity that a fix scales as a fraction of
elapsed time in the run, will essentially remain at its intiial value.
Also note that an error will occur if you read a snapshot from the
dump file with a timestep value larger than the {stop} setting you
have specified.
The {dump} keyword is required and must be the last keyword specified.
Its arguments are passed internally to the "read_dump"_read_dump.html
@ -157,7 +161,7 @@ angle evaluations, if no pair style is being used.
Every time a snapshot is read, the timestep for the simulation is
reset, as if the "reset_timestep"_reset_timestep.html command were
used. This command has some restrictions as to what fixes can be
defined. See its doc page for details. For example, the fix
defined. See its doc page for details. For example, the "fix
deposit"_fix_deposit.html and "fix dt/reset"_fix_dt_reset.html fixes
are in this category. They also make no sense to use with a rerun
command.