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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@491 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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doc/atom_style.html
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@ -15,7 +15,7 @@
</P>
<PRE>atom_style style args
</PRE>
<UL><LI>style = <I>angle</I> or <I>atomic</I> or <I>bond</I> or <I>charge</I> or <I>dpd</I> or <I>full</I> or <I>granular</I> or <I>molecular</I> or <I>hybrid</I>
<UL><LI>style = <I>angle</I> or <I>atomic</I> or <I>bond</I> or <I>charge</I> or <I>dpd</I> or <I>ellipsoid</I> or <I>full</I> or <I>granular</I> or <I>molecular</I> or <I>hybrid</I>
</UL>
<PRE> args = none for any style except <I>hybrid</I>
<I>hybrid</I> args = list of one or more sub-styles
@ -53,18 +53,23 @@ velocities, atom IDs and types.
<LI><I>bond</I> = bonds - e.g. bead-spring polymers
<LI><I>charge</I> = charge
<LI><I>dpd</I> = default values, also communicates velocities
<LI><I>ellipsoid</I> = quaternion for particle orientation, angular velocity/momentum
<LI><I>molecular</I> = bonds, angles, dihedrals, impropers - e.g. all-atom polymers
<LI><I>full</I> = molecular + charge - e.g. biomolecules, charged polymers
<LI><I>granular</I> = granular atoms with rotational properties
</UL>
<P>Typical simulations with a single pair potential will use only one of
these styles. For cases where multiple pair potentials will be used
(see the <A HREF = "pair_style.html">pair_style</A> <I>hybrid</I> command), it may be
necessary to use multiple atom styles. Another example is doing a DPD
simulations with bonds or angles. In these cases the <I>hybrid</I> style
can be used to list multiple atom styles. Atoms will then store and
communicate the union of all quantities implied by the individual
styles.
<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
needed properties by any atom. For example, if some atoms in a
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.
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
"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.
</P>
<P>LAMMPS can be extended with new atom styles; see <A HREF = "Section_modify.html">this
section</A>.