Because periodic boundary conditions are enforced only on

   timesteps when neighbor lists are rebuilt, the coordinates of an atom

   written to a dump file may be slightly outside the simulation box.

   Re-neighbor timesteps will not typically coincide with the timesteps

   dump snapshots are written.  See the :doc:`dump_modify pbc <dump_modify>` command if you with to force coordinates to be

   strictly inside the simulation box.

.. note::

     *nfile* arg = Nf

       Nf = write this many files, one from each of Nf processors

     *pad* arg = Nchar = # of characters to convert timestep to

     *pbc* arg = *yes* or *no* = remap atoms via periodic boundary conditions

     *precision* arg = power-of-10 value from 10 to 1000000

     *region* arg = region-ID or "none"

     *scale* arg = *yes* or *no*

----------

The *pbc* keyword applies to all the dump styles.  As explained on the

:doc:`dump <dump>` doc page, atom coordinates in a dump file may be

slightly outside the simulation box.  This is because periodic

boundary conditions are enforced only on timesteps when neighbor lists

are rebuilt, which will not typically coincide with the timesteps dump

snapshots are written.  If the setting of this keyword is set to

*yes*\ , then all atoms will be remapped to the periodic box before the

snapshot is written, then restored to their original position.  If it

is set to *no* they will not be.  The *no* setting is the default

because it requires no extra computation.

----------

The *precision* keyword only applies to the dump *xtc* style.  A

specified value of N means that coordinates are stored to 1/N

nanometer accuracy, e.g. for N = 1000, the coordinates are written to

* label = ENTRIES

* nfile = 1

* pad = 0

* pbc = no

* precision = 1000

* region = none

* scale = yes

into bins, in the same manner the fix ave/histo command operates.  The

second value (a scalar or vector) is used as a "weight".  This means

that instead of each value tallying a "1" to its bin, the

corresponding weight is tallied.  E.g. the Nth entry in the first

vector tallies the Nth entry (weight) in the second vector.

corresponding weight is tallied.  E.g. The Nth entry (weight) in the

second vector is tallied to the bin corresponding to the Nth entry in

the first vector.

----------

<p class="first admonition-title">Note</p>

<p class="last">Because periodic boundary conditions are enforced only on

timesteps when neighbor lists are rebuilt, the coordinates of an atom

written to a dump file may be slightly outside the simulation box.</p>

written to a dump file may be slightly outside the simulation box.

Re-neighbor timesteps will not typically coincide with the timesteps

dump snapshots are written.  See the <a class="reference internal" href="dump_modify.html"><span class="doc">dump_modify pbc</span></a> command if you with to force coordinates to be

strictly inside the simulation box.</p>

</div>

<div class="admonition note">

<p class="first admonition-title">Note</p>

<em>nfile</em> arg = Nf

  Nf = write this many files, one from each of Nf processors

<em>pad</em> arg = Nchar = # of characters to convert timestep to

<em>pbc</em> arg = <em>yes</em> or <em>no</em> = remap atoms via periodic boundary conditions

<em>precision</em> arg = power-of-10 value from 10 to 1000000

<em>region</em> arg = region-ID or &quot;none&quot;

<em>scale</em> arg = <em>yes</em> or <em>no</em>

post-processing programs can easily read the files in ascending

timestep order.</p>

<hr class="docutils" />

<p>The <em>pbc</em> keyword applies to all the dump styles.  As explained on the

<a class="reference internal" href="dump.html"><span class="doc">dump</span></a> doc page, atom coordinates in a dump file may be

slightly outside the simulation box.  This is because periodic

boundary conditions are enforced only on timesteps when neighbor lists

are rebuilt, which will not typically coincide with the timesteps dump

snapshots are written.  If the setting of this keyword is set to

<em>yes</em>, then all atoms will be remapped to the periodic box before the

snapshot is written, then restored to their original position.  If it

is set to <em>no</em> they will not be.  The <em>no</em> setting is the default

because it requires no extra computation.</p>

<hr class="docutils" />

<p>The <em>precision</em> keyword only applies to the dump <em>xtc</em> style.  A

specified value of N means that coordinates are stored to 1/N

nanometer accuracy, e.g. for N = 1000, the coordinates are written to

<li>label = ENTRIES</li>

<li>nfile = 1</li>

<li>pad = 0</li>

<li>pbc = no</li>

<li>precision = 1000</li>

<li>region = none</li>

<li>scale = yes</li>