integrated by other fixes (e.g. <aclass="reference internal"href="fix_nve.html"><spanclass="doc">fix nve</span></a>, <aclass="reference internal"href="fix_nh.html"><spanclass="doc">fix nvt</span></a>), since that will change their positions and
just as they would during normal time integration (e.g. via the <aclass="reference internal"href="fix_nve.html"><spanclass="doc">fix nve</span></a> command). It is up to you to decide whether
<p>The <em>rotate</em> style rotates atoms around a rotation axis <em>R</em> =
(Rx,Ry,Rz) that goes thru a point <em>P</em> = (Px,Py,Pz). The <em>period</em> of
the rotation is also specified. The direction of rotation for the
atoms around the rotation axis is consistent with the right-hand rule:
if your right-hand thumb points along <em>R</em>, then your fingers wrap
around the axis in the direction of rotation.</p>
<p>This style also sets the velocity of each atom to (omega cross Rperp)
where omega is its angular velocity around the rotation axis and Rperp
is a perpendicular vector from the rotation axis to the atom. If the
defined <aclass="reference internal"href="atom_style.html"><spanclass="doc">atom_style</span></a> assigns an angular velocity or
angular moementum or orientation to each atom (<aclass="reference internal"href="atom_style.html"><spanclass="doc">atom styles</span></a> sphere, ellipsoid, line, tri, body), then
those properties are also updated appropriately to correspond to the
atom’s motion and rotation over time.</p>
<p>The <em>variable</em> style allows the position and velocity components of
each atom to be set by formulas specified via the
<aclass="reference internal"href="variable.html"><spanclass="doc">variable</span></a> command. Each of the 6 variables is
specified as an argument to the fix as v_name, where name is the
variable name that is defined elsewhere in the input script.</p>
<p>Each variable must be of either the <em>equal</em> or <em>atom</em> style.
<em>Equal</em>-style variables compute a single numeric quantity, that can be
a function of the timestep as well as of other simulation values.
<em>Atom</em>-style variables compute a numeric quantity for each atom, that
can be a function per-atom quantities, such as the atom’s position, as
well as of the timestep and other simulation values. Note that this
fix stores the original coordinates of each atom (see note below) so
that per-atom quantity can be used in an atom-style variable formula.
See the <aclass="reference internal"href="variable.html"><spanclass="doc">variable</span></a> command for details.</p>
<p>The first 3 variables (v_dx,v_dy,v_dz) specified for the <em>variable</em>
style are used to calculate a displacement from the atom’s original
position at the time the fix was specified. The second 3 variables
(v_vx,v_vy,v_vz) specified are used to compute a velocity for each
atom.</p>
<p>Any of the 6 variables can be specified as NULL. If both the
displacement and velocity variables for a particular x,y,z component
are specified as NULL, then the position and velocity of that
<h2>Restart, fix_modify, output, run start/stop, minimize info</h2>
<p>This fix writes the original coordinates of moving atoms to <aclass="reference internal"href="restart.html"><spanclass="doc">binary restart files</span></a>, as well as the initial timestep, so that
the motion can be continuous in a restarted simulation. See the
<aclass="reference internal"href="read_restart.html"><spanclass="doc">read_restart</span></a> command for 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.</p>
<divclass="admonition note">
<pclass="first admonition-title">Note</p>
<pclass="last">Because the move positions are a function of the current
timestep and the initial timestep, you cannot reset the timestep to a
different value after reading a restart file, if you expect a fix move
command to work in an uninterrupted fashion.</p>
</div>
<p>None of the <aclass="reference internal"href="fix_modify.html"><spanclass="doc">fix_modify</span></a> options are relevant to this
fix.</p>
<p>This fix produces a per-atom array which can be accessed by various
<aclass="reference internal"href="Section_howto.html#howto-15"><spanclass="std std-ref">output commands</span></a>. The number of columns
for each atom is 3, and the columns store the original unwrapped x,y,z
coords of each atom. The per-atom values can be accessed on any
timestep.</p>
<p>No parameter of this fix can be used with the <em>start/stop</em> keywords of
the <aclass="reference internal"href="run.html"><spanclass="doc">run</span></a> command. This fix is not invoked during <aclass="reference internal"href="minimize.html"><spanclass="doc">energy minimization</span></a>.</p>
<p>For <aclass="reference internal"href="run_style.html"><spanclass="doc">rRESPA time integration</span></a>, this fix adjusts the
position and velocity of atoms on the outermost rRESPA level.</p>
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