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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15205 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2016-06-17 23:51:19 +00:00
parent 143b72e7da
commit 6f6e08652e
13 changed files with 25 additions and 23 deletions
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9
doc/html/_sources/fix_addforce.txt
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@ -115,7 +115,7 @@ converge properly.
----------
Styles with a uffix are functionally the same as the corresponding
Styles with a suffix are functionally the same as the corresponding
style without the suffix. They have been optimized to run faster,
depending on your available hardware, as discussed in
:doc:`Section_accelerate <Section_accelerate>` of the manual. The
@ -149,9 +149,10 @@ forces added by this fix in a consistent manner. I.e. there is a
decrease in potential energy when atoms move in the direction of the
added force.
The :doc:`fix_modify <fix_modify>` *respa* option is supported by
this fix. This allows to set at which level of the :doc:`r-RESPA <run_style>`
integrator the fix is adding its forces. Default is the outermost level.
The :doc:`fix_modify <fix_modify>` *respa* option is supported by this
fix. This allows to set at which level of the :doc:`r-RESPA <run_style>`
integrator the fix is adding its forces. Default is the outermost
level.
This fix computes a global scalar and a global 3-vector of forces,
which can be accessed by various :ref:`output commands <howto_15>`. The scalar is the potential

2
doc/html/_sources/fix_aveforce.txt
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@ -73,7 +73,7 @@ to it.
----------
Styles with a uffix are functionally the same as the corresponding
Styles with a suffix are functionally the same as the corresponding
style without the suffix. They have been optimized to run faster,
depending on your available hardware, as discussed in
:doc:`Section_accelerate <Section_accelerate>` of the manual. The

2
doc/html/_sources/fix_enforce2d.txt
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@ -31,7 +31,7 @@ not move from their initial z coordinate.
----------
Styles with a uffix are functionally the same as the corresponding
Styles with a suffix are functionally the same as the corresponding
style without the suffix. They have been optimized to run faster,
depending on your available hardware, as discussed in
:doc:`Section_accelerate <Section_accelerate>` of the manual. The

2
doc/html/_sources/fix_freeze.txt
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@ -35,7 +35,7 @@ using :doc:`fix setforce <fix_setforce>`.
----------
Styles with a uffix are functionally the same as the corresponding
Styles with a suffix are functionally the same as the corresponding
style without the suffix. They have been optimized to run faster,
depending on your available hardware, as discussed in
:doc:`Section_accelerate <Section_accelerate>` of the manual. The

6
doc/html/_sources/fix_modify.txt
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@ -18,7 +18,7 @@ Syntax
*temp* value = compute ID that calculates a temperature
*press* value = compute ID that calculates a pressure
*energy* value = *yes* or *no*
*respa* value = *1* to *max respa level* or *0* (= outmost level)
*respa* value = *1* to *max respa level* or *0* (for outermost level)
@ -72,8 +72,8 @@ This is a number ranging from 1 to the number of levels. If the RESPA
level is larger than the current maximum, the outermost level will be
used, which is also the default setting. This default can be restored
using a value of *0* for the RESPA level. The affected fix has to be
programmed to support this feature; if not, *fix_modify* will report
an error. Active fixes with a custom RESPA level setting are reported
enabled to support this feature; if not, *fix_modify* will report an
error. Active fixes with a custom RESPA level setting are reported
with their specified level at the beginning of a r-RESPA run.
Restrictions

2
doc/html/_sources/fix_shake.txt
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@ -162,7 +162,7 @@ info of atoms in the molecule.
----------
Styles with a uffix are functionally the same as the corresponding
Styles with a suffix are functionally the same as the corresponding
style without the suffix. They have been optimized to run faster,
depending on your available hardware, as discussed in
:doc:`Section_accelerate <Section_accelerate>` of the manual. The

9
doc/html/fix_addforce.html
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@ -218,7 +218,7 @@ were a spring-like F = kx, then the energy formula should be E =
-0.5kx^2. If you don&#8217;t do this correctly, the minimization will not
converge properly.</p>
<hr class="docutils" />
<p>Styles with a uffix are functionally the same as the corresponding
<p>Styles with a suffix are functionally the same as the corresponding
style without the suffix. They have been optimized to run faster,
depending on your available hardware, as discussed in
<a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual. The
@ -243,9 +243,10 @@ needed so that the <a class="reference internal" href="minimize.html"><span clas
forces added by this fix in a consistent manner. I.e. there is a
decrease in potential energy when atoms move in the direction of the
added force.</p>
<p>The <a class="reference internal" href="fix_modify.html"><span class="doc">fix_modify</span></a> <em>respa</em> option is supported by
this fix. This allows to set at which level of the <a class="reference internal" href="run_style.html"><span class="doc">r-RESPA</span></a>
integrator the fix is adding its forces. Default is the outermost level.</p>
<p>The <a class="reference internal" href="fix_modify.html"><span class="doc">fix_modify</span></a> <em>respa</em> option is supported by this
fix. This allows to set at which level of the <a class="reference internal" href="run_style.html"><span class="doc">r-RESPA</span></a>
integrator the fix is adding its forces. Default is the outermost
level.</p>
<p>This fix computes a global scalar and a global 3-vector of forces,
which can be accessed by various <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">output commands</span></a>. The scalar is the potential
energy discussed above. The vector is the total force on the group of

2
doc/html/fix_aveforce.html
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@ -184,7 +184,7 @@ time. Thus it is easy to specify a time-dependent average force.</p>
specified geometric <a class="reference internal" href="region.html"><span class="doc">region</span></a> in order to have force added
to it.</p>
<hr class="docutils" />
<p>Styles with a uffix are functionally the same as the corresponding
<p>Styles with a suffix are functionally the same as the corresponding
style without the suffix. They have been optimized to run faster,
depending on your available hardware, as discussed in
<a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual. The

2
doc/html/fix_enforce2d.html
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@ -148,7 +148,7 @@
This is useful when running a 2d simulation to insure that atoms do
not move from their initial z coordinate.</p>
<hr class="docutils" />
<p>Styles with a uffix are functionally the same as the corresponding
<p>Styles with a suffix are functionally the same as the corresponding
style without the suffix. They have been optimized to run faster,
depending on your available hardware, as discussed in
<a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual. The

2
doc/html/fix_freeze.html
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@ -152,7 +152,7 @@ particles appropriately, as if the frozen particle has infinite mass.
A similar functionality for normal (point) particles can be obtained
using <a class="reference internal" href="fix_setforce.html"><span class="doc">fix setforce</span></a>.</p>
<hr class="docutils" />
<p>Styles with a uffix are functionally the same as the corresponding
<p>Styles with a suffix are functionally the same as the corresponding
style without the suffix. They have been optimized to run faster,
depending on your available hardware, as discussed in
<a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual. The

6
doc/html/fix_modify.html
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@ -140,7 +140,7 @@
<em>temp</em> value = compute ID that calculates a temperature
<em>press</em> value = compute ID that calculates a pressure
<em>energy</em> value = <em>yes</em> or <em>no</em>
<em>respa</em> value = <em>1</em> to <em>max respa level</em> or <em>0</em> (= outmost level)
<em>respa</em> value = <em>1</em> to <em>max respa level</em> or <em>0</em> (for outermost level)
</pre>
</div>
<div class="section" id="examples">
@ -187,8 +187,8 @@ This is a number ranging from 1 to the number of levels. If the RESPA
level is larger than the current maximum, the outermost level will be
used, which is also the default setting. This default can be restored
using a value of <em>0</em> for the RESPA level. The affected fix has to be
programmed to support this feature; if not, <em>fix_modify</em> will report
an error. Active fixes with a custom RESPA level setting are reported
enabled to support this feature; if not, <em>fix_modify</em> will report an
error. Active fixes with a custom RESPA level setting are reported
with their specified level at the beginning of a r-RESPA run.</p>
</div>
<div class="section" id="restrictions">

2
doc/html/fix_shake.html
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@ -259,7 +259,7 @@ file. See the <a class="reference internal" href="molecule.html"><span class="d
settings required to be in this file (by this command) are the SHAKE
info of atoms in the molecule.</p>
<hr class="docutils" />
<p>Styles with a uffix are functionally the same as the corresponding
<p>Styles with a suffix are functionally the same as the corresponding
style without the suffix. They have been optimized to run faster,
depending on your available hardware, as discussed in
<a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></a> of the manual. The

2
doc/html/searchindex.js
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