Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F80342514
write_dump.html
No One
Temporary
Actions
Download File
Edit File
Delete File
View Transforms
Subscribe
Mute Notifications
Award Token
Subscribers
None
File Metadata
Details
File Info
Storage
Attached
Created
Sat, Aug 31, 06:18
Size
4 KB
Mime Type
text/html
Expires
Mon, Sep 2, 06:18 (2 d)
Engine
blob
Format
Raw Data
Handle
20343639
Attached To
rLAMMPS lammps
write_dump.html
View Options
<HTML>
<CENTER>
<A
HREF =
"http://lammps.sandia.gov"
>
LAMMPS WWW Site
</A>
-
<A
HREF =
"Manual.html"
>
LAMMPS Documentation
</A>
-
<A
HREF =
"Section_commands.html#comm"
>
LAMMPS Commands
</A>
</CENTER>
<HR>
<H3>
write_dump command
</H3>
<P><B>
Syntax:
</B>
</P>
<PRE>
write_dump group-ID style file dump-args modify dump_modify-args
</PRE>
<UL><LI>
group-ID = ID of the group of atoms to be dumped
<LI>
style = any of the supported
<A
HREF =
"dump.html"
>
dump styles
</A>
<LI>
file = name of file to write dump info to
<LI>
dump-args = any additional args needed for a particular
<A
HREF =
"dump.html"
>
dump style
</A>
<LI>
modify = all args after this keyword are passed to
<A
HREF =
"dump_modify.html"
>
dump_modify
</A>
(optional)
<LI>
dump-modify-args = args for
<A
HREF =
"dump_modify.html"
>
dump_modify
</A>
(optional)
</UL>
<P><B>
Examples:
</B>
</P>
<PRE>
write_dump all atom dump.atom
write_dump subgroup atom dump.run.bin
write_dump all custom dump.myforce.* id type x y vx fx
write_dump flow custom dump.%.myforce id type c_myF[3] v_ke modify sort id
write_dump all xyz system.xyz modify sort id elements O H
write_dump all image snap*.jpg type type size 960 960 modify backcolor white
write_dump all image snap*.jpg element element
&
bond atom 0.3 shiny 0.1 ssao yes 6345 0.2 size 1600 1600
&
modify backcolor white element C C O H N C C C O H H S O H
</PRE>
<P><B>
Description:
</B>
</P>
<P>
Dump a single snapshot of atom quantities to one or more files for the
current state of the system. This is a one-time immediate operation,
in contrast to the
<A
HREF =
"dump.html"
>
dump
</A>
command which will will set up a
dump style to write out snapshots periodically during a running
simulation.
</P>
<P>
The syntax for this command is mostly identical to that of the
<A
HREF =
"dump.html"
>
dump
</A>
and
<A
HREF =
"dump_modify.html"
>
dump_modify
</A>
commands as if
they were concatenated together, with the following exceptions: There
is no need for a dump ID or dump frequency and the keyword
<I>
modify
</I>
is
added. The latter is so that the full range of
<A
HREF =
"dump_modify.html"
>
dump_modify
</A>
options can be specified for the single
snapshot, just as they can be for multiple snapshots. The
<I>
modify
</I>
keyword separates the arguments that would normally be passed to the
<I>
dump
</I>
command from those that would be given the
<I>
dump_modify
</I>
. Both
support optional arguments and thus LAMMPS needs to be able to cleanly
separate the two sets of args.
</P>
<P>
Note that if the specified filename uses wildcard characters "*" or
"%", as supported by the
<A
HREF =
"dump.html"
>
dump
</A>
commmand, they will operate
in the same fashion to create the new filename(s). Normally,
<A
HREF =
"dump_image.html"
>
dump
image
</A>
files require a filename with a "*" character
for the timestep. That is not the case for the write_dump command; no
wildcard "*" character is necessary.
</P>
<HR>
<P><B>
Restrictions:
</B>
</P>
<P>
All restrictions for the
<A
HREF =
"dump.html"
>
dump
</A>
and
<A
HREF =
"dump_modify.html"
>
dump_modify
</A>
commands apply to this command as well,
with the exception of the
<A
HREF =
"dump_image.html"
>
dump image
</A>
filename not
requiring a wildcard "*" character, as noted above.
</P>
<P>
Since dumps are normally written during a
<A
HREF =
"run.html"
>
run
</A>
or
<A
HREF =
"minimize.html"
>
energy
minimization
</A>
, the simulation has to be ready to run
before this command can be used. Similarly, if the dump requires
information from a compute, fix, or variable, the information needs to
have been calculated for the current timestep (e.g. by a prior run),
else LAMMPS will generate an error message.
</P>
<P>
For example, it is not possible to dump per-atom energy with this
command before a run has been performed, since no energies and forces
have yet been calculated. See the
<A
HREF =
"variable.html"
>
variable
</A>
doc page
sectinn on Variable Accuracy for more information on this topic.
</P>
<P><B>
Related commands:
</B>
</P>
<P><A
HREF =
"dump.html"
>
dump
</A>
,
<A
HREF =
"dump_image.html"
>
dump image
</A>
,
<A
HREF =
"dump_modify.html"
>
dump_modify
</A>
</P>
<P><B>
Default:
</B>
</P>
<P>
The defaults are listed on the doc pages for the
<A
HREF =
"dump.html"
>
dump
</A>
and
<A
HREF =
"dump_image.html"
>
dump image
</A>
and
<A
HREF =
"dump_modify.html"
>
dump_modify
</A>
commands.
</P>
</HTML>
Event Timeline
Log In to Comment