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@ -493,7 +493,7 @@ name links to a sub-section below with more details.</p>
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<td>python</td>
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<td>lib/python</td>
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</tr>
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<tr class="row-even"><td><a class="reference internal" href="Section_tools.html#reax"><span class="std std-ref">REAX</span></a></td>
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<tr class="row-even"><td><a class="reference internal" href="#reax"><span class="std std-ref">REAX</span></a></td>
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<td>ReaxFF potential</td>
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<td>Aidan Thompson (Sandia)</td>
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<td><a class="reference internal" href="pair_reax.html"><span class="doc">pair_style reax</span></a></td>
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@ -1624,7 +1624,7 @@ src/Make.py -h -voronoi” to see the details.</p>
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</td>
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</tr>
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<tr class="row-odd"><td><a class="reference internal" href="#user-dpd"><span class="std std-ref">USER-DPD</span></a></td>
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<td>dissipative particle dynamics (DPD)</td>
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<td>reactive dissipative particle dynamics (DPD)</td>
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<td>Larentzos & Mattox & Brennan (5)</td>
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<td>src/USER-DPD/README</td>
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<td>USER/dpd</td>
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@ -2058,9 +2058,11 @@ questions.</p>
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<span id="user-dpd"></span><h3>4.2.6. USER-DPD package</h3>
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<p>Contents: DPD stands for dissipative particle dynamics, This package
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implements DPD for isothermal, isoenergetic, isobaric and isenthalpic
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conditions. The DPD equations of motion are integrated efficiently
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through the Shardlow splitting algorithm. See src/USER-DPD/README for
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more details.</p>
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conditions. It also has extensions for performing reactive DPD, where
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each particle has internal state for multiple species and a coupled
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set of chemical reaction ODEs are integrated each timestep. The DPD
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equations of motion are integrated efficiently through the Shardlow
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splitting algorithm. See src/USER-DPD/README for more details.</p>
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<p>Supporting info: /src/USER-DPD/README, <a class="reference internal" href="compute_dpd.html"><span class="doc">compute dpd</span></a>
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<a class="reference internal" href="compute_dpd_atom.html"><span class="doc">compute dpd/atom</span></a>
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<a class="reference internal" href="fix_eos_table.html"><span class="doc">fix eos/cv</span></a> <a class="reference internal" href="fix_eos_table.html"><span class="doc">fix eos/table</span></a>
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@ -1521,7 +1521,7 @@ The current list of user-contributed packages is as follows:
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+--------------------------------------------+------------------------------------------------+-------------------------------------------------+---------------------------------------------------------+------------------+-------------------------+-------------+
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| :ref:`USER-DIFFRACTION <USER-DIFFRACTION>` | virutal x-ray and electron diffraction | Shawn Coleman (ARL) | :doc:`compute xrd <compute_xrd>` | USER/diffraction | - | - |
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+--------------------------------------------+------------------------------------------------+-------------------------------------------------+---------------------------------------------------------+------------------+-------------------------+-------------+
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| :ref:`USER-DPD <USER-DPD>` | dissipative particle dynamics (DPD) | Larentzos & Mattox & Brennan (5) | src/USER-DPD/README | USER/dpd | - | - |
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| :ref:`USER-DPD <USER-DPD>` | reactive dissipative particle dynamics (DPD) | Larentzos & Mattox & Brennan (5) | src/USER-DPD/README | USER/dpd | - | - |
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+--------------------------------------------+------------------------------------------------+-------------------------------------------------+---------------------------------------------------------+------------------+-------------------------+-------------+
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| :ref:`USER-DRUDE <USER-DRUDE>` | Drude oscillators | Dequidt & Devemy & Padua (3) | :doc:`tutorial <tutorial_drude>` | USER/drude | - | - |
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+--------------------------------------------+------------------------------------------------+-------------------------------------------------+---------------------------------------------------------+------------------+-------------------------+-------------+
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@ -1779,9 +1779,11 @@ USER-DPD package
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Contents: DPD stands for dissipative particle dynamics, This package
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implements DPD for isothermal, isoenergetic, isobaric and isenthalpic
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conditions. The DPD equations of motion are integrated efficiently
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through the Shardlow splitting algorithm. See src/USER-DPD/README for
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more details.
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conditions. It also has extensions for performing reactive DPD, where
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each particle has internal state for multiple species and a coupled
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set of chemical reaction ODEs are integrated each timestep. The DPD
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equations of motion are integrated efficiently through the Shardlow
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splitting algorithm. See src/USER-DPD/README for more details.
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Supporting info: /src/USER-DPD/README, :doc:`compute dpd <compute_dpd>`
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:doc:`compute dpd/atom <compute_dpd_atom>`
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@ -1144,7 +1144,7 @@ Package, Description, Author(s), Doc page, Example, Pic/movie, Library
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"USER-CG-CMM"_#USER-CG-CMM, coarse-graining model, Axel Kohlmeyer (Temple U), "pair_style lj/sdk"_pair_sdk.html, USER/cg-cmm, "cg"_cg, -
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"USER-COLVARS"_#USER-COLVARS, collective variables, Fiorin & Henin & Kohlmeyer (2), "fix colvars"_fix_colvars.html, USER/colvars, "colvars"_colvars, lib/colvars
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"USER-DIFFRACTION"_#USER-DIFFRACTION, virutal x-ray and electron diffraction, Shawn Coleman (ARL),"compute xrd"_compute_xrd.html, USER/diffraction, -, -
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"USER-DPD"_#USER-DPD, dissipative particle dynamics (DPD), Larentzos & Mattox & Brennan (5), src/USER-DPD/README, USER/dpd, -, -
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"USER-DPD"_#USER-DPD, reactive dissipative particle dynamics (DPD), Larentzos & Mattox & Brennan (5), src/USER-DPD/README, USER/dpd, -, -
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"USER-DRUDE"_#USER-DRUDE, Drude oscillators, Dequidt & Devemy & Padua (3), "tutorial"_tutorial_drude.html, USER/drude, -, -
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"USER-EFF"_#USER-EFF, electron force field, Andres Jaramillo-Botero (Caltech), "pair_style eff/cut"_pair_eff.html, USER/eff, "eff"_eff, -
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"USER-FEP"_#USER-FEP, free energy perturbation, Agilio Padua (U Blaise Pascal Clermont-Ferrand), "compute fep"_compute_fep.html, USER/fep, -, -
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@ -1328,9 +1328,11 @@ USER-DPD package :link(USER-DPD),h5
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Contents: DPD stands for dissipative particle dynamics, This package
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implements DPD for isothermal, isoenergetic, isobaric and isenthalpic
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conditions. The DPD equations of motion are integrated efficiently
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through the Shardlow splitting algorithm. See src/USER-DPD/README for
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more details.
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conditions. It also has extensions for performing reactive DPD, where
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each particle has internal state for multiple species and a coupled
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set of chemical reaction ODEs are integrated each timestep. The DPD
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equations of motion are integrated efficiently through the Shardlow
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splitting algorithm. See src/USER-DPD/README for more details.
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Supporting info: /src/USER-DPD/README, "compute dpd"_compute_dpd.html
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"compute dpd/atom"_compute_dpd_atom.html
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