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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10924 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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51
doc/write_dump.html
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@ -13,16 +13,12 @@
</H3>
<P><B>Syntax:</B>
</P>
<PRE>write_dump ID group-ID style N file dump-args modify dump-modify-args
<PRE>write_dump group-ID style file dump-args modify dump_modify-args
</PRE>
<UL><LI>ID = user-assigned name for the dump (ignored)
<LI>group-ID = ID of the group of atoms to be dumped
<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>N = dump every this many timesteps (ignored)
<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>
@ -33,36 +29,37 @@
</UL>
<P><B>Examples:</B>
</P>
<PRE>write_dump 1 all atom 0 dump.atom
write_dump 1 subgroup atom 0 dump.run.bin
write_dump 1 all custom 0 dump.myforce.* id type x y vx fx
write_dump 1 flow custom 0 dump.%.myforce id type c_myF[3] v_ke modify sort id
write_dump 1 all xyz 0 system.xyz modify sort id elements O H
write_dump 1 all image 0 snap*.jpg type type size 960 960 modify backcolor white
write_dump 1 all image 0 snap*.jpg element element &
<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 operation, in
contrast to the <A HREF = "dump.html">dump</A> command which will write out multiple
snapshots periodically during a running simulation.
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 identical to that of the
<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 one exception. This 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 syntax exception is that if a second set of
dump-modify-args is specified, they must be preceeded by the "modify"
keyword, so that LAMMPS can cleanly separate the two sets of args.
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 the dump ID and frequency <I>N</I> arguments are ignored, since
they are irrelevant when only a single snapshot is being written.
</P>
<P>Also note that if the specified filename uses the wildcard characters
<P>Note that if the specified filename uses the 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).
</P>

49
doc/write_dump.txt
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@ -10,12 +10,10 @@ write_dump command :h3
[Syntax:]
write_dump ID group-ID style N file dump-args modify dump-modify-args :pre
write_dump group-ID style file dump-args modify dump_modify-args :pre
ID = user-assigned name for the dump (ignored) :ulb,l
group-ID = ID of the group of atoms to be dumped :l
group-ID = ID of the group of atoms to be dumped :ulb,l
style = any of the supported "dump styles"_dump.html :l
N = dump every this many timesteps (ignored) :l
file = name of file to write dump info to :l
dump-args = any additional args needed for a particular "dump style"_dump.html :l
modify = all args after this keyword are passed to "dump_modify"_dump_modify.html (optional) :l
@ -23,36 +21,37 @@ dump-modify-args = args for "dump_modify"_dump_modify.html (optional) :l,ule
[Examples:]
write_dump 1 all atom 0 dump.atom
write_dump 1 subgroup atom 0 dump.run.bin
write_dump 1 all custom 0 dump.myforce.* id type x y vx fx
write_dump 1 flow custom 0 dump.%.myforce id type c_myF\[3\] v_ke modify sort id
write_dump 1 all xyz 0 system.xyz modify sort id elements O H
write_dump 1 all image 0 snap*.jpg type type size 960 960 modify backcolor white
write_dump 1 all image 0 snap*.jpg element element &
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
[Description:]
Dump a single snapshot of atom quantities to one or more files for the
current state of the system. This is a one-time operation, in
contrast to the "dump"_dump.html command which will write out multiple
snapshots periodically during a running simulation.
current state of the system. This is a one-time immediate operation,
in contrast to the "dump"_dump.html command which will will set up a
dump style to write out snapshots periodically during a running
simulation.
The syntax for this command is identical to that of the
The syntax for this command is mostly identical to that of the
"dump"_dump.html and "dump_modify"_dump_modify.html commands as if
they were concatenated together, with one exception. This is so that
the full range of "dump_modify"_dump_modify.html options can be
specified for the single snapshot, just as they can be for multiple
snapshots. The syntax exception is that if a second set of
dump-modify-args is specified, they must be preceeded by the "modify"
keyword, so that LAMMPS can cleanly separate the two sets of args.
they were concatenated together, with the following exceptions: There
is no need for a dump ID or dump frequency and the keyword {modify} is
added. The latter is so that the full range of
"dump_modify"_dump_modify.html options can be specified for the single
snapshot, just as they can be for multiple snapshots. The {modify}
keyword separates the arguments that would normally be passed to the
{dump} command from those that would be given the {dump_modify}. Both
support optional arguments and thus LAMMPS needs to be able to cleanly
separate the two sets of args.
Note that the dump ID and frequency {N} arguments are ignored, since
they are irrelevant when only a single snapshot is being written.
Also note that if the specified filename uses the wildcard characters
Note that if the specified filename uses the wildcard characters
"*" or "%", as supported by the "dump"_dump.html commmand, they will
operate in the same fashion to create the new filename(s).