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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6380 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-06-13 23:18:49 +00:00
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21
doc/atom_style.html
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@ -63,7 +63,8 @@ quantities.
<TR><TD ><I>full</I> </TD><TD > molecular + charge </TD><TD > bio-molecules </TD></TR>
<TR><TD ><I>molecular</I> </TD><TD > bonds, angles, dihedrals, impropers </TD><TD > uncharged molecules </TD></TR>
<TR><TD ><I>peri</I> </TD><TD > mass, volume </TD><TD > mesocopic Peridynamic models </TD></TR>
<TR><TD ><I>sphere</I> </TD><TD > diameter, mass, angular velocity </TD><TD > granular models
<TR><TD ><I>sphere</I> </TD><TD > diameter, mass, angular velocity </TD><TD > granular models </TD></TR>
<TR><TD ><I>wavepacket</I> </TD><TD > charge, spin, eradius, etag, cs_re, cs_im </TD><TD > AWPMD
</TD></TR></TABLE></DIV>
<P>All of the styles assign mass to particles on a per-type basis, using
@ -71,8 +72,8 @@ the <A HREF = "mass.html">mass</A> command, except for the finite-size particle
styles discussed below. They assign mass on a per-atom basis.
</P>
<P>All of the styles define point particles, except the <I>sphere</I>,
<I>ellipsoid</I>, <I>electron</I>, and <I>peri</I> styles, which define finite-size
particles.
<I>ellipsoid</I>, <I>electron</I>, <I>peri</I>, and <I>wavepacket</I> styles, which define
finite-size particles.
</P>
<P>For the <I>sphere</I> style, the particles are spheres and each stores a
per-particle diameter and mass. If the diameter > 0.0, the particle
@ -92,6 +93,12 @@ position, which is represented by the eradius = electron size.
<P>For the <I>peri</I> style, the particles are spherical and each stores a
per-particle mass and volume.
</P>
<P>The <I>wavepacket</I> style is similar to <I>electron</I>, but the electrons may
consist of several Gaussian wave packets, summed up with coefficients
cs= (cs_re,cs_im). Each of the wave packets is treated as a separate
particle in LAMMPS, wave packets belonging to the same electron must
have identical <I>etag</I> values.
</P>
<HR>
<P>Typically, simulations require only a single (non-hybrid) atom style.
@ -121,9 +128,11 @@ section</A>.
package. The <I>ellipsoid</I> style is part of the "asphere" package. The
<I>peri</I> style is part of the "peri" package for Peridynamics. The
<I>electron</I> style is part of the "user-eff" package for <A HREF = "pair_eff.html">electronic
force fields</A>. They are only enabled if LAMMPS was
built with that package. See the <A HREF = "Section_start.html#2_3">Making
LAMMPS</A> section for more info.
force fields</A>. The <I>wavepacket</I> style is part of the
"user-awpmd" package for the <A HREF = "pair_awpmd.html">antisymmetrized wave packet MD
method</A>. They are only enabled if LAMMPS was built
with that package. See the <A HREF = "Section_start.html#2_3">Making LAMMPS</A>
section for more info.
</P>
<P><B>Related commands:</B>
</P>