forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11847 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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parent
2cf0a3bafa
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@ -131,7 +131,7 @@ and box information.
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</P>
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</P>
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<P>The dump file is scanned for a snapshot with a time stamp that matches
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<P>The dump file is scanned for a snapshot with a time stamp that matches
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the specified <I>Nstep</I>. This means the LAMMPS timestep the dump file
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the specified <I>Nstep</I>. This means the LAMMPS timestep the dump file
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snapshot was written on for the <I>native</I> format. However, the <I>xyz</I>
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snapshot was written on for the <I>native</I> format. Note that the <I>xyz</I>
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and <I>molfile</I> formats do not store the timestep. For these formats,
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and <I>molfile</I> formats do not store the timestep. For these formats,
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timesteps are numbered logically, in a sequential manner, starting
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timesteps are numbered logically, in a sequential manner, starting
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from 0. Thus to access the 10th snapshot in an <I>xyz</I> or <I>mofile</I>
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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.
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The dump file is scanned for a snapshot with a time stamp that matches
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The dump file is scanned for a snapshot with a time stamp that matches
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the specified {Nstep}. This means the LAMMPS timestep the dump file
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the specified {Nstep}. This means the LAMMPS timestep the dump file
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snapshot was written on for the {native} format. However, the {xyz}
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snapshot was written on for the {native} format. Note that the {xyz}
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and {molfile} formats do not store the timestep. For these formats,
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and {molfile} formats do not store the timestep. For these formats,
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timesteps are numbered logically, in a sequential manner, starting
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timesteps are numbered logically, in a sequential manner, starting
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from 0. Thus to access the 10th snapshot in an {xyz} or {mofile}
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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,
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then only 1 out of every 3 snapshots is read, assuming the snapshot
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then only 1 out of every 3 snapshots is read, assuming the snapshot
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timestamp is also consistent with the other criteria.
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timestamp is also consistent with the other criteria.
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</P>
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</P>
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<P>The <I>start</I> and <I>stop</I> keywords have the same meaning that they do for
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<P>The <I>start</I> and <I>stop</I> keywords do not affect which snapshots are read
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the <A HREF = "run.html">run</A> command. They only need to be defined if (a) you
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from the dump file(s). Rather, they have the same meaning that they
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are using a <A HREF = "fix.html">fix</A> command that changes some value over time,
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do for the <A HREF = "run.html">run</A> command. They only need to be defined if
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and (b) you want the reference point for elapsed time (from start to
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(a) you are using a <A HREF = "fix.html">fix</A> command that changes some value
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stop) to be different than the <I>first</I> and <I>last</I> settings. See the
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over time, and (b) you want the reference point for elapsed time (from
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doc page for individual fixes to see which ones can be used with the
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start to stop) to be different than the <I>first</I> and <I>last</I> settings.
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<I>start/stop</I> keywords. Note that if you define neither of the
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See the doc page for individual fixes to see which ones can be used
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<I>start</I>/<I>stop</I> or <I>first</I>/<I>last</I> keywords, then LAMMPS treats the
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with the <I>start/stop</I> keywords. Note that if you define neither of
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the <I>start</I>/<I>stop</I> or <I>first</I>/<I>last</I> keywords, then LAMMPS treats the
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pseudo run as going from 0 to a huge value (effectively infinity).
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pseudo run as going from 0 to a huge value (effectively infinity).
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This means that any quantity that a fix scales as a fraction of
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This means that any quantity that a fix scales as a fraction of
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elapsed time in the run, will essentially remain at its intiial value.
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elapsed time in the run, will essentially remain at its intiial value.
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Also note that an error will occur if you read a snapshot from the
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dump file with a timestep value larger than the <I>stop</I> setting you
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have specified.
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</P>
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</P>
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<P>The <I>dump</I> keyword is required and must be the last keyword specified.
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<P>The <I>dump</I> keyword is required and must be the last keyword specified.
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Its arguments are passed internally to the <A HREF = "read_dump.html">read_dump</A>
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Its arguments are passed internally to the <A HREF = "read_dump.html">read_dump</A>
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@ -161,9 +165,9 @@ atoms are acquired from far enough away for operations like bond and
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angle evaluations, if no pair style is being used.
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angle evaluations, if no pair style is being used.
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</P>
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</P>
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<P>Every time a snapshot is read, the timestep for the simulation is
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<P>Every time a snapshot is read, the timestep for the simulation is
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reset, as if the <A HREF = "reset_timestep.html<A HREF = "fix_deposit.html">>reset_timestep</A> command were
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reset, as if the <A HREF = "reset_timestep.html">reset_timestep</A> command were
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used. This command has some restrictions as to what fixes can be
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used. This command has some restrictions as to what fixes can be
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defined. See its doc page for details. For example, the fix
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defined. See its doc page for details. For example, the <A HREF = "fix_deposit.html">fix
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deposit</A> and <A HREF = "fix_dt_reset.html">fix dt/reset</A> fixes
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deposit</A> and <A HREF = "fix_dt_reset.html">fix dt/reset</A> fixes
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are in this category. They also make no sense to use with a rerun
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are in this category. They also make no sense to use with a rerun
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command.
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command.
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@ -109,17 +109,21 @@ every Nth snapshot is read, where N = {Nskip}. E.g. if {Nskip} = 3,
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then only 1 out of every 3 snapshots is read, assuming the snapshot
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then only 1 out of every 3 snapshots is read, assuming the snapshot
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timestamp is also consistent with the other criteria.
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timestamp is also consistent with the other criteria.
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The {start} and {stop} keywords have the same meaning that they do for
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The {start} and {stop} keywords do not affect which snapshots are read
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the "run"_run.html command. They only need to be defined if (a) you
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from the dump file(s). Rather, they have the same meaning that they
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are using a "fix"_fix.html command that changes some value over time,
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do for the "run"_run.html command. They only need to be defined if
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and (b) you want the reference point for elapsed time (from start to
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(a) you are using a "fix"_fix.html command that changes some value
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stop) to be different than the {first} and {last} settings. See the
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over time, and (b) you want the reference point for elapsed time (from
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doc page for individual fixes to see which ones can be used with the
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start to stop) to be different than the {first} and {last} settings.
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{start/stop} keywords. Note that if you define neither of the
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See the doc page for individual fixes to see which ones can be used
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{start}/{stop} or {first}/{last} keywords, then LAMMPS treats the
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with the {start/stop} keywords. Note that if you define neither of
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the {start}/{stop} or {first}/{last} keywords, then LAMMPS treats the
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pseudo run as going from 0 to a huge value (effectively infinity).
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pseudo run as going from 0 to a huge value (effectively infinity).
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This means that any quantity that a fix scales as a fraction of
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This means that any quantity that a fix scales as a fraction of
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elapsed time in the run, will essentially remain at its intiial value.
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elapsed time in the run, will essentially remain at its intiial value.
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Also note that an error will occur if you read a snapshot from the
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dump file with a timestep value larger than the {stop} setting you
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have specified.
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The {dump} keyword is required and must be the last keyword specified.
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The {dump} keyword is required and must be the last keyword specified.
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Its arguments are passed internally to the "read_dump"_read_dump.html
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Its arguments are passed internally to the "read_dump"_read_dump.html
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@ -157,7 +161,7 @@ angle evaluations, if no pair style is being used.
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Every time a snapshot is read, the timestep for the simulation is
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Every time a snapshot is read, the timestep for the simulation is
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reset, as if the "reset_timestep"_reset_timestep.html command were
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reset, as if the "reset_timestep"_reset_timestep.html command were
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used. This command has some restrictions as to what fixes can be
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used. This command has some restrictions as to what fixes can be
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defined. See its doc page for details. For example, the fix
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defined. See its doc page for details. For example, the "fix
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deposit"_fix_deposit.html and "fix dt/reset"_fix_dt_reset.html fixes
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deposit"_fix_deposit.html and "fix dt/reset"_fix_dt_reset.html fixes
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are in this category. They also make no sense to use with a rerun
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are in this category. They also make no sense to use with a rerun
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command.
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command.
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