git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14541 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2016-02-03 21:27:32 +00:00
parent bb11aa3147
commit 94da81bae4
4 changed files with 6 additions and 6 deletions

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@ -152,7 +152,7 @@ temperature (dpdTheta) for the entire system of particles. See the
per-particle internal energies and internal temperatures.</p> per-particle internal energies and internal temperatures.</p>
<p>The system internal properties are computed according to the following <p>The system internal properties are computed according to the following
relations:</p> relations:</p>
<img alt="Eqs/compute_dpd.jpg" class="align-center" src="Eqs/compute_dpd.jpg" /> <img alt="_images/compute_dpd.jpg" class="align-center" src="_images/compute_dpd.jpg" />
<p>where N is the number of particles in the system</p> <p>where N is the number of particles in the system</p>
<hr class="docutils" /> <hr class="docutils" />
<p><strong>Output info:</strong></p> <p><strong>Output info:</strong></p>

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@ -149,7 +149,7 @@
particle internal energy (u_i) to the particle internal temperature particle internal energy (u_i) to the particle internal temperature
(dpdTheta_i). The <em>eos/cv</em> mesoparticle equation of state requires (dpdTheta_i). The <em>eos/cv</em> mesoparticle equation of state requires
the constant-volume heat capacity, and is defined as follows:</p> the constant-volume heat capacity, and is defined as follows:</p>
<img alt="Eqs/fix_eos-cv.jpg" class="align-center" src="Eqs/fix_eos-cv.jpg" /> <img alt="_images/fix_eos-cv.jpg" class="align-center" src="_images/fix_eos-cv.jpg" />
<p>where Cv is the constant-volume heat capacity, u_cond is the internal <p>where Cv is the constant-volume heat capacity, u_cond is the internal
conductive energy, and u_mech is the internal mechanical energy. Note conductive energy, and u_mech is the internal mechanical energy. Note
that alternative definitions of the mesoparticle equation of state are that alternative definitions of the mesoparticle equation of state are

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@ -148,10 +148,10 @@ pair_coeff 1 1 3.0
<p>Style <em>dpd/conservative</em> computes the conservative force for <p>Style <em>dpd/conservative</em> computes the conservative force for
dissipative particle dynamics (DPD). The conservative force on atom I dissipative particle dynamics (DPD). The conservative force on atom I
due to atom J is given by</p> due to atom J is given by</p>
<img alt="Eqs/pair_dpd_conservative.jpg" class="align-center" src="Eqs/pair_dpd_conservative.jpg" /> <img alt="_images/pair_dpd_conservative.jpg" class="align-center" src="_images/pair_dpd_conservative.jpg" />
<p>where the weighting factor, omega_ij, varies between 0 and 1, and is <p>where the weighting factor, omega_ij, varies between 0 and 1, and is
chosen to have the following functional form:</p> chosen to have the following functional form:</p>
<img alt="Eqs/pair_dpd_omega.jpg" class="align-center" src="Eqs/pair_dpd_omega.jpg" /> <img alt="_images/pair_dpd_omega.jpg" class="align-center" src="_images/pair_dpd_omega.jpg" />
<p>where Rij is a unit vector in the direction Ri - Rj, and Rc is the <p>where Rij is a unit vector in the direction Ri - Rj, and Rc is the
cutoff. Note that alternative definitions of the weighting function cutoff. Note that alternative definitions of the weighting function
exist, but would have to be implemented as a separate pair style exist, but would have to be implemented as a separate pair style

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@ -165,10 +165,10 @@ pair_coeff * * 3.0 1.0 0.1 2.5
theorem parameters and compute the conservative force for dissipative theorem parameters and compute the conservative force for dissipative
particle dynamics (DPD). The conservative force on atom I due to atom particle dynamics (DPD). The conservative force on atom I due to atom
J is given by</p> J is given by</p>
<img alt="Eqs/pair_dpd_conservative.jpg" class="align-center" src="Eqs/pair_dpd_conservative.jpg" /> <img alt="_images/pair_dpd_conservative.jpg" class="align-center" src="_images/pair_dpd_conservative.jpg" />
<p>where the weighting factor, omega_ij, varies between 0 and 1, and is <p>where the weighting factor, omega_ij, varies between 0 and 1, and is
chosen to have the following functional form:</p> chosen to have the following functional form:</p>
<img alt="Eqs/pair_dpd_omega.jpg" class="align-center" src="Eqs/pair_dpd_omega.jpg" /> <img alt="_images/pair_dpd_omega.jpg" class="align-center" src="_images/pair_dpd_omega.jpg" />
<p>where Rij is a unit vector in the direction Ri - Rj, and Rc is the <p>where Rij is a unit vector in the direction Ri - Rj, and Rc is the
cutoff. Note that alternative definitions of the weighting function cutoff. Note that alternative definitions of the weighting function
exist, but would have to be implemented as a separate pair style exist, but would have to be implemented as a separate pair style