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multiscale
lammps
Commits
930121fd
Commit
930121fd
authored
14 years ago
by
sjplimp
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git-svn-id:
svn://svn.icms.temple.edu/lammps-ro/trunk@5788
f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent
e09df28b
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doc/dump.html
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doc/dump.html
doc/dump_modify.html
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930121fd
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@@ -208,7 +208,7 @@ be cut and pasted directly into a data file read by the
extended CFG format files, as used by the
<A
HREF =
"http://mt.seas.upenn.edu/Archive/Graphics/A"
>
AtomEye
</A>
visualization
package. Since the extended CFG format uses a single snapshot of the
system per file, a wild
-
card "*" must be included in the filename, as
system per file, a wildcard "*" must be included in the filename, as
discussed below. The list of atom attributes for style
<I>
cfg
</I>
must
begin with "id type xs ys zs", since these quantities are needed to
write the CFG files in the appropriate format (though the "id" and
...
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@@ -276,7 +276,7 @@ dump command is invoked and closed when an <A HREF = "undump.html">undump</A>
command is used or when LAMMPS exits. For the
<I>
dcd
</I>
and
<I>
xtc
</I>
styles,
this is a single large binary file.
</P>
<P>
Dump filenames can contain two wild
-
card characters. If a "*"
<P>
Dump filenames can contain two wildcard characters. If a "*"
character appears in the filename, then one file per snapshot is
written and the "*" character is replaced with the timestep value.
For example, tmp.dump.* becomes tmp.dump.0, tmp.dump.10000,
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@@ -33,6 +33,7 @@
<I>
image
</I>
arg =
<I>
yes
</I>
or
<I>
no
</I>
<I>
label
</I>
arg = string
string = character string (e.g. BONDS) to use in header of dump local file
<I>
pad
</I>
arg = Nchar = # of characters to convert timestep to
<I>
precision
</I>
arg = power-of-10 value from 10 to 1000000
<I>
region
</I>
arg = region-ID or "none"
<I>
scale
</I>
arg =
<I>
yes
</I>
or
<I>
no
</I>
...
...
@@ -153,6 +154,16 @@ ITEM: ENTRIES ...
<P>
The word "ENTRIES" will be replaced with the string specified,
e.g. BONDS or ANGLES.
</P>
<P>
The
<I>
pad
</I>
keyword only applies when the dump filename is specified
with a wildcard "*" character which becomes the timestep. If
<I>
pad
</I>
is
0, which is the default, the timestep is converted into a string of
unpadded length, e.g. 100 or 12000 or 2000000. When
<I>
pad
</I>
is
specified with
<I>
Nchar
</I>
> 0, the string is padded with leading zeroes
so they are all the same length =
<I>
Nchar
</I>
. For example, pad 7 would
yield 0000100, 0012000, 2000000. This can be useful so that
post-processing programs can easily read the files in ascending
timestep order.
</P>
<P>
The
<I>
precision
</I>
keyword only applies to the dump
<I>
xtc
</I>
style. A
specified value of N means that coordinates are stored to 1/N
nanometer accuracy, e.g. for N = 1000, the coordinates are written to
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@@ -227,6 +238,7 @@ box size stored with the snapshot.
<LI>
format = %d and %g for each integer or floating point value
<LI>
image = no
<LI>
label = ENTRIES
<LI>
pad = 0
<LI>
precision = 1000
<LI>
region = none
<LI>
scale = yes
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