git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5788 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2011-03-15 14:36:35 +00:00
parent e09df28b92
commit 930121fd0f
2 changed files with 14 additions and 2 deletions

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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
@ -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
@ -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