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multiscale
lammps
Commits
94da81ba
Commit
94da81ba
authored
9 years ago
by
sjplimp
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git-svn-id:
svn://svn.icms.temple.edu/lammps-ro/trunk@14541
f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent
bb11aa31
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doc/compute_dpd.html
+1
-1
1 addition, 1 deletion
doc/compute_dpd.html
doc/fix_eos_cv.html
+1
-1
1 addition, 1 deletion
doc/fix_eos_cv.html
doc/pair_dpd_conservative.html
+2
-2
2 additions, 2 deletions
doc/pair_dpd_conservative.html
doc/pair_dpd_fdt.html
+2
-2
2 additions, 2 deletions
doc/pair_dpd_fdt.html
with
6 additions
and
6 deletions
doc/compute_dpd.html
+
1
−
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View file @
94da81ba
...
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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>
<p>
The system internal properties are computed according to the following
relations:
</p>
<img
alt=
"
Eq
s/compute_dpd.jpg"
class=
"align-center"
src=
"
Eq
s/compute_dpd.jpg"
/>
<img
alt=
"
_image
s/compute_dpd.jpg"
class=
"align-center"
src=
"
_image
s/compute_dpd.jpg"
/>
<p>
where N is the number of particles in the system
</p>
<hr
class=
"docutils"
/>
<p><strong>
Output info:
</strong></p>
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doc/fix_eos_cv.html
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94da81ba
...
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@@ -149,7 +149,7 @@
particle internal energy (u_i) to the particle internal temperature
(dpdTheta_i). The
<em>
eos/cv
</em>
mesoparticle equation of state requires
the constant-volume heat capacity, and is defined as follows:
</p>
<img
alt=
"
Eq
s/fix_eos-cv.jpg"
class=
"align-center"
src=
"
Eq
s/fix_eos-cv.jpg"
/>
<img
alt=
"
_image
s/fix_eos-cv.jpg"
class=
"align-center"
src=
"
_image
s/fix_eos-cv.jpg"
/>
<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
that alternative definitions of the mesoparticle equation of state are
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doc/pair_dpd_conservative.html
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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
dissipative particle dynamics (DPD). The conservative force on atom I
due to atom J is given by
</p>
<img
alt=
"
Eq
s/pair_dpd_conservative.jpg"
class=
"align-center"
src=
"
Eq
s/pair_dpd_conservative.jpg"
/>
<img
alt=
"
_image
s/pair_dpd_conservative.jpg"
class=
"align-center"
src=
"
_image
s/pair_dpd_conservative.jpg"
/>
<p>
where the weighting factor, omega_ij, varies between 0 and 1, and is
chosen to have the following functional form:
</p>
<img
alt=
"
Eq
s/pair_dpd_omega.jpg"
class=
"align-center"
src=
"
Eq
s/pair_dpd_omega.jpg"
/>
<img
alt=
"
_image
s/pair_dpd_omega.jpg"
class=
"align-center"
src=
"
_image
s/pair_dpd_omega.jpg"
/>
<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
exist, but would have to be implemented as a separate pair style
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doc/pair_dpd_fdt.html
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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
particle dynamics (DPD). The conservative force on atom I due to atom
J is given by
</p>
<img
alt=
"
Eq
s/pair_dpd_conservative.jpg"
class=
"align-center"
src=
"
Eq
s/pair_dpd_conservative.jpg"
/>
<img
alt=
"
_image
s/pair_dpd_conservative.jpg"
class=
"align-center"
src=
"
_image
s/pair_dpd_conservative.jpg"
/>
<p>
where the weighting factor, omega_ij, varies between 0 and 1, and is
chosen to have the following functional form:
</p>
<img
alt=
"
Eq
s/pair_dpd_omega.jpg"
class=
"align-center"
src=
"
Eq
s/pair_dpd_omega.jpg"
/>
<img
alt=
"
_image
s/pair_dpd_omega.jpg"
class=
"align-center"
src=
"
_image
s/pair_dpd_omega.jpg"
/>
<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
exist, but would have to be implemented as a separate pair style
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