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

This commit is contained in:
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`
becomes :ref:`(Wirnsberger) <Wirnsberger>`
.. image:: src/Eqs/fix_ehex_eom.jpg
.. image:: Eqs/fix_ehex_eom.jpg
:align: center
The thermostatting force is given by
.. image:: src/Eqs/fix_ehex_f.jpg
.. image:: Eqs/fix_ehex_f.jpg
:align: center
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
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>
<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>
<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
position to the respective reservoir. The quantity
<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
"dt/reset"_fix_dt_reset.html - reset the timestep based on velocity, forces
"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
"evaporate"_fix_evaporate.html - remove atoms from simulation periodically
"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 \(i\)
becomes "(Wirnsberger)"_#Wirnsberger
:c,image(src/Eqs/fix_ehex_eom.jpg)
:c,image(Eqs/fix_ehex_eom.jpg)
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
position to the respective reservoir. The quantity