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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14711 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-03-01 22:30:28 +00:00
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@ -142,7 +142,8 @@
c_ID[I] = Ith component of global vector calculated by a compute with ID
f_ID = global scalar calculated by a fix with ID
f_ID[I] = Ith component of global vector calculated by a fix with ID
v_name = global value calculated by an equal-style variable with name
v_name = value calculated by an equal-style variable with name
v_name[I] = Ith component of vector-style variable with name
</pre></div>
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@ -175,17 +176,17 @@ thermo_style custom step v_diff
specified values may represent calculations performed by computes and
fixes which store their own &#8220;group&#8221; definitions.</p>
<p>Each listed value can be the result of a <a class="reference internal" href="compute.html"><em>compute</em></a> or
<a class="reference internal" href="fix.html"><em>fix</em></a> or the evaluation of an equal-style
<a class="reference internal" href="fix.html"><em>fix</em></a> or the evaluation of an equal-style or vector-style
<a class="reference internal" href="variable.html"><em>variable</em></a>. In each case, the compute, fix, or variable
must produce a global quantity, not a per-atom or local quantity.
And the global quantity must be a scalar, not a vector or array.</p>
must produce a global quantity, not a per-atom or local quantity. And
the global quantity must be a scalar, not a vector or array.</p>
<p><a class="reference internal" href="compute.html"><em>Computes</em></a> that produce global quantities are those which
do not have the word <em>atom</em> in their style name. Only a few
<a class="reference internal" href="fix.html"><em>fixes</em></a> produce global quantities. See the doc pages for
individual fixes for info on which ones produce such values.
<a class="reference internal" href="variable.html"><em>Variables</em></a> of style <em>equal</em> are the only ones that can
be used with this fix. Variables of style <em>atom</em> cannot be used,
since they produce per-atom values.</p>
<a class="reference internal" href="variable.html"><em>Variables</em></a> of style <em>equal</em> or <em>vector</em> are the only
ones that can be used with this fix. Variables of style <em>atom</em> cannot
be used, since they produce per-atom values.</p>
<p>The <em>Nevery</em> argument specifies on what timesteps the input values
will be used in order to be stored. Only timesteps that are a
multiple of <em>Nevery</em>, including timestep 0, will contribute values.</p>
@ -217,13 +218,15 @@ calculated by the fix is used.</p>
which must be compatible with <em>Nevery</em>, else an error will result.
Users can also write code for their own fix styles and <a class="reference internal" href="Section_modify.html"><em>add them to LAMMPS</em></a>.</p>
<p>If a value begins with &#8220;<a href="#id5"><span class="problematic" id="id6">v_</span></a>&#8221;, a variable name must follow which has
been previously defined in the input script. Only equal-style
variables can be referenced. See the <a class="reference internal" href="variable.html"><em>variable</em></a> command
for details. Note that variables of style <em>equal</em> define a formula
which can reference individual atom properties or thermodynamic
keywords, or they can invoke other computes, fixes, or variables when
they are evaluated, so this is a very general means of specifying
quantities to be stored by fix vector.</p>
been previously defined in the input script. An equal-style or
vector-style variable can be referenced; the latter requires a
bracketed term to use the Ith element of the vector calculated by the
variable. See the <a class="reference internal" href="variable.html"><em>variable</em></a> command for details. Note
that variables of style <em>equal</em> and <em>vector</em> define a formula which
can reference individual atom properties or thermodynamic keywords, or
they can invoke other computes, fixes, or variables when they are
evaluated, so this is a very general means of specifying quantities to
be stored by fix vector.</p>
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