diff --git a/doc/dump.html b/doc/dump.html index fcab28e210e94f7a767217e9ddd6869cdfa071a5..fad0888e9a75a8e2bdfef9e8748c94d31d13924b 100644 --- a/doc/dump.html +++ b/doc/dump.html @@ -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, diff --git a/doc/dump_modify.html b/doc/dump_modify.html index a13295d400b219354565d7aea7e0e78cf9bc46f9..21f0943757f226566d019d92e7b3e6edabd2be61 100644 --- a/doc/dump_modify.html +++ b/doc/dump_modify.html @@ -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