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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2912 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-06-30 14:49:39 +00:00
parent dc3fbde4db
commit 339a6aaabc
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25
doc/atom_style.html
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@ -66,6 +66,27 @@ quantities.
<TR><TD ><I>peri</I> </TD><TD > density, volume </TD><TD > mesocopic Peridynamic models
</TD></TR></TABLE></DIV>
<P>All of the styles define point particles, except the <I>ellipsoid</I> and
<I>granular</I> and <I>peri</I> styles. These define finite-size particles.
For <I>ellipsoidal</I> systems, the <A HREF = "shape.html">shape</A> command is used to
specify the size and shape of particles, which can be spherical or
aspherical. For <I>granular</I> systems, the particles are spherical and
each has a specified diameter. For <I>peri</I> systems, the particles are
spherical and each has a specified volume.
</P>
<P>All of the styles assign mass to particles on a per-type basis, using
the <A HREF = "mass.html">mass</A> command, except the <I>granular</I> and <I>peri</I> styles.
For <I>granular</I> systems, the specified diameter and density are used to
calculate each particle's mass. For <I>peri</I> systems, the speficied
volume and density are used to calculate each particle's mass.
</P>
<P>Only the <I>dpd</I> and <I>granular</I> styles communicate velocities with ghost
atoms; the others do not. This is because the pairwise interactions
calculated by the <A HREF = "pair_dpd.html">pair_style dpd</A> and <A HREF = "pair_gran.html">pair_style
granular</A> commands require velocities.
</P>
<HR>
<P>Typically, simulations require only a single (non-hybrid) atom style.
If some atoms in the simulation do not have all the properties defined
by a particular style, use the simplest style that defines all the
@ -74,8 +95,8 @@ simulation are charged, but others are not, use the <I>charge</I> style.
If some atoms have bonds, but others do not, use the <I>bond</I> style.
</P>
<P>The only scenario where the <I>hybrid</I> style is needed is if there is no
single style which defines all needed properties of all atoms.
E.g. if you want charged DPD particles, you would need to use
single style which defines all needed properties of all atoms. For
example, if you want charged DPD particles, you would need to use
"atom_style hybrid dpd charge". When a hybrid style is used, atoms
store and communicate the union of all quantities implied by the
individual styles.

25
doc/atom_style.txt
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@ -62,6 +62,27 @@ quantities.
{molecular} | bonds, angles, dihedrals, impropers | uncharged molecules |
{peri} | density, volume | mesocopic Peridynamic models :tb(c=3,s=|)
All of the styles define point particles, except the {ellipsoid} and
{granular} and {peri} styles. These define finite-size particles.
For {ellipsoidal} systems, the "shape"_shape.html command is used to
specify the size and shape of particles, which can be spherical or
aspherical. For {granular} systems, the particles are spherical and
each has a specified diameter. For {peri} systems, the particles are
spherical and each has a specified volume.
All of the styles assign mass to particles on a per-type basis, using
the "mass"_mass.html command, except the {granular} and {peri} styles.
For {granular} systems, the specified diameter and density are used to
calculate each particle's mass. For {peri} systems, the speficied
volume and density are used to calculate each particle's mass.
Only the {dpd} and {granular} styles communicate velocities with ghost
atoms; the others do not. This is because the pairwise interactions
calculated by the "pair_style dpd"_pair_dpd.html and "pair_style
granular"_pair_gran.html commands require velocities.
:line
Typically, simulations require only a single (non-hybrid) atom style.
If some atoms in the simulation do not have all the properties defined
by a particular style, use the simplest style that defines all the
@ -70,8 +91,8 @@ simulation are charged, but others are not, use the {charge} style.
If some atoms have bonds, but others do not, use the {bond} style.
The only scenario where the {hybrid} style is needed is if there is no
single style which defines all needed properties of all atoms.
E.g. if you want charged DPD particles, you would need to use
single style which defines all needed properties of all atoms. For
example, if you want charged DPD particles, you would need to use
"atom_style hybrid dpd charge". When a hybrid style is used, atoms
store and communicate the union of all quantities implied by the
individual styles.