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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12195 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2014-07-22 22:52:28 +00:00
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20
doc/dump.html
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@ -68,6 +68,7 @@
</PRE>
<PRE> id = atom ID
mol = molecule ID
proc = ID of processor that owns atom
type = atom type
element = name of atom element, as defined by <A HREF = "dump_modify.html">dump_modify</A> command
mass = atom mass
@ -459,17 +460,18 @@ dump 1 all local 1000 tmp.dump index c_1[1] c_1[2] c_1[3] c_2[1] c_2[2]
<P>This section explains the atom attributes that can be specified as
part of the <I>custom</I> and <I>cfg</I> styles.
</P>
<P>The <I>id</I>, <I>mol</I>, <I>type</I>, <I>element</I>, <I>mass</I>, <I>vx</I>, <I>vy</I>, <I>vz</I>, <I>fx</I>, <I>fy</I>,
<I>fz</I>, <I>q</I> attributes are self-explanatory.
<P>The <I>id</I>, <I>mol</I>, <I>proc</I>, <I>type</I>, <I>element</I>, <I>mass</I>, <I>vx</I>, <I>vy</I>, <I>vz</I>,
<I>fx</I>, <I>fy</I>, <I>fz</I>, <I>q</I> attributes are self-explanatory.
</P>
<P><I>Id</I> is the atom ID. <I>Mol</I> is the molecule ID, included in the data
file for molecular systems. <I>Type</I> is the atom type. <I>Element</I> is
typically the chemical name of an element, which you must assign to
each type via the <A HREF = "dump_modify.html">dump_modify element</A> command.
More generally, it can be any string you wish to associated with an
atom type. <I>Mass</I> is the atom mass. <I>Vx</I>, <I>vy</I>, <I>vz</I>, <I>fx</I>, <I>fy</I>,
<I>fz</I>, and <I>q</I> are components of atom velocity and force and atomic
charge.
file for molecular systems. <I>Proc</I> is the ID of the processor (0 to
Nprocs-1) that currently owns the atom. <I>Type</I> is the atom type.
<I>Element</I> is typically the chemical name of an element, which you must
assign to each type via the <A HREF = "dump_modify.html">dump_modify element</A>
command. More generally, it can be any string you wish to associated
with an atom type. <I>Mass</I> is the atom mass. <I>Vx</I>, <I>vy</I>, <I>vz</I>, <I>fx</I>,
<I>fy</I>, <I>fz</I>, and <I>q</I> are components of atom velocity and force and
atomic charge.
</P>
<P>There are several options for outputting atom coordinates. The <I>x</I>,
<I>y</I>, <I>z</I> attributes write atom coordinates "unscaled", in the

20
doc/dump.txt
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@ -55,6 +55,7 @@ args = list of arguments for a particular style :l
id = atom ID
mol = molecule ID
proc = ID of processor that owns atom
type = atom type
element = name of atom element, as defined by "dump_modify"_dump_modify.html command
mass = atom mass
@ -445,17 +446,18 @@ dump 1 all local 1000 tmp.dump index c_1\[1\] c_1\[2\] c_1\[3\] c_2\[1\] c_2\[2\
This section explains the atom attributes that can be specified as
part of the {custom} and {cfg} styles.
The {id}, {mol}, {type}, {element}, {mass}, {vx}, {vy}, {vz}, {fx}, {fy},
{fz}, {q} attributes are self-explanatory.
The {id}, {mol}, {proc}, {type}, {element}, {mass}, {vx}, {vy}, {vz},
{fx}, {fy}, {fz}, {q} attributes are self-explanatory.
{Id} is the atom ID. {Mol} is the molecule ID, included in the data
file for molecular systems. {Type} is the atom type. {Element} is
typically the chemical name of an element, which you must assign to
each type via the "dump_modify element"_dump_modify.html command.
More generally, it can be any string you wish to associated with an
atom type. {Mass} is the atom mass. {Vx}, {vy}, {vz}, {fx}, {fy},
{fz}, and {q} are components of atom velocity and force and atomic
charge.
file for molecular systems. {Proc} is the ID of the processor (0 to
Nprocs-1) that currently owns the atom. {Type} is the atom type.
{Element} is typically the chemical name of an element, which you must
assign to each type via the "dump_modify element"_dump_modify.html
command. More generally, it can be any string you wish to associated
with an atom type. {Mass} is the atom mass. {Vx}, {vy}, {vz}, {fx},
{fy}, {fz}, and {q} are components of atom velocity and force and
atomic charge.
There are several options for outputting atom coordinates. The {x},
{y}, {z} attributes write atom coordinates "unscaled", in the