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

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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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12
doc/dump_modify.html
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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