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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15141 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2016-06-07 17:56:27 +00:00
parent 8b17319fce
commit 214e8876c0
4 changed files with 7 additions and 6 deletions
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4
doc/html/_sources/fix_ehex.txt
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@ -79,12 +79,12 @@ additional thermostatting force to the equations of motion, such that
the time evolution of coordinates and momenta of particle :math:`i` the time evolution of coordinates and momenta of particle :math:`i`
becomes :ref:`(Wirnsberger) <Wirnsberger>` becomes :ref:`(Wirnsberger) <Wirnsberger>`
.. image:: src/Eqs/fix_ehex_eom.jpg .. image:: Eqs/fix_ehex_eom.jpg
:align: center :align: center
The thermostatting force is given by The thermostatting force is given by
.. image:: src/Eqs/fix_ehex_f.jpg .. image:: Eqs/fix_ehex_f.jpg
:align: center :align: center
where :math:`m_i` is the mass and :math:`k(\mathbf r_i)` maps the particle where :math:`m_i` is the mass and :math:`k(\mathbf r_i)` maps the particle

4
doc/html/fix_ehex.html
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@ -194,9 +194,9 @@ corresponds to :math:`k\)</span>. The energy swap is modelled by introducing an
additional thermostatting force to the equations of motion, such that additional thermostatting force to the equations of motion, such that
the time evolution of coordinates and momenta of particle <span class="math">\(i\)</span> the time evolution of coordinates and momenta of particle <span class="math">\(i\)</span>
becomes <a class="reference internal" href="#wirnsberger"><span class="std std-ref">(Wirnsberger)</span></a></p> becomes <a class="reference internal" href="#wirnsberger"><span class="std std-ref">(Wirnsberger)</span></a></p>
<img alt="src/Eqs/fix_ehex_eom.jpg" class="align-center" src="src/Eqs/fix_ehex_eom.jpg" /> <img alt="_images/fix_ehex_eom.jpg" class="align-center" src="_images/fix_ehex_eom.jpg" />
<p>The thermostatting force is given by</p> <p>The thermostatting force is given by</p>
<img alt="src/Eqs/fix_ehex_f.jpg" class="align-center" src="src/Eqs/fix_ehex_f.jpg" /> <img alt="_images/fix_ehex_f.jpg" class="align-center" src="_images/fix_ehex_f.jpg" />
<p>where <span class="math">\(m_i\)</span> is the mass and <span class="math">\(k(\mathbf r_i)\)</span> maps the particle <p>where <span class="math">\(m_i\)</span> is the mass and <span class="math">\(k(\mathbf r_i)\)</span> maps the particle
position to the respective reservoir. The quantity position to the respective reservoir. The quantity
<span class="math">\(F_*\Gamma_*k(\mathbf r_i)**\)</span> corresponds to the input parameter <span class="math">\(F_*\Gamma_*k(\mathbf r_i)**\)</span> corresponds to the input parameter

1
doc/src/fix.txt
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@ -181,6 +181,7 @@ of "this page"_Section_commands.html#cmd_5.
"drag"_fix_drag.html - drag atoms towards a defined coordinate "drag"_fix_drag.html - drag atoms towards a defined coordinate
"dt/reset"_fix_dt_reset.html - reset the timestep based on velocity, forces "dt/reset"_fix_dt_reset.html - reset the timestep based on velocity, forces
"efield"_fix_efield.html - impose electric field on system "efield"_fix_efield.html - impose electric field on system
"ehex"_fix_ehex.html - ehanced heat exchange algorithm
"enforce2d"_fix_enforce2d.html - zero out z-dimension velocity and force "enforce2d"_fix_enforce2d.html - zero out z-dimension velocity and force
"evaporate"_fix_evaporate.html - remove atoms from simulation periodically "evaporate"_fix_evaporate.html - remove atoms from simulation periodically
"external"_fix_external.html - callback to an external driver program "external"_fix_external.html - callback to an external driver program

4
doc/src/fix_ehex.txt
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@ -69,11 +69,11 @@ additional thermostatting force to the equations of motion, such that
the time evolution of coordinates and momenta of particle \(i\) the time evolution of coordinates and momenta of particle \(i\)
becomes "(Wirnsberger)"_#Wirnsberger becomes "(Wirnsberger)"_#Wirnsberger
:c,image(src/Eqs/fix_ehex_eom.jpg) :c,image(Eqs/fix_ehex_eom.jpg)
The thermostatting force is given by The thermostatting force is given by
:c,image(src/Eqs/fix_ehex_f.jpg) :c,image(Eqs/fix_ehex_f.jpg)
where \(m_i\) is the mass and \(k(\mathbf r_i)\) maps the particle where \(m_i\) is the mass and \(k(\mathbf r_i)\) maps the particle
position to the respective reservoir. The quantity position to the respective reservoir. The quantity