git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13893 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp 2015-08-18 23:22:29 +00:00
parent dc2ebd0393
commit a4c8c59bbc
3 changed files with 18 additions and 4 deletions

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@ -46,8 +46,8 @@
<PRE>compute 1 all xrd 1.541838 Al O 2Theta 0.087 0.87 c 1 1 1 LP 1 echo
compute 2 all xrd 1.541838 Al O 2Theta 10 100 c 0.05 0.05 0.05 LP 1 manual
</PRE>
<PRE>fix 1 all ave/histo/weights 1 1 1 0.087 0.87 250 c_1[1] c_1[2] mode vector file Rad2Theta.xrd
fix 2 all ave/histo/weights 1 1 1 10 100 250 c_2[1] c_2[2] mode vector file Deg2Theta.xrd
<PRE>fix 1 all ave/histo/weight 1 1 1 0.087 0.87 250 c_1[1] c_1[2] mode vector file Rad2Theta.xrd
fix 2 all ave/histo/weight 1 1 1 10 100 250 c_2[1] c_2[2] mode vector file Deg2Theta.xrd
</PRE>
<PRE>
</PRE>

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@ -61,6 +61,8 @@
<I>file</I> arg = filename
filename = file to write results to
<I>overwrite</I> arg = none = overwrite output file with only latest output
<I>format</I> arg = string
string = C-style format string
<I>title1</I> arg = string
string = text to print as 1st line of output file
<I>title2</I> arg = string
@ -371,6 +373,11 @@ quantities, as explained above.
with the latest output, so that it only contains one timestep worth of
output. This option can only be used with the <I>ave running</I> setting.
</P>
<P>The <I>format</I> keyword sets the numeric format of each value when it is
printed to a file via the <I>file</I> keyword. Note that all values are
floating point quantities. The default format is %g. You can specify
a higher precision if desired, e.g. %20.16g.
</P>
<P>The <I>title1</I> and <I>title2</I> and <I>title3</I> keywords allow specification of
the strings that will be printed as the first 3 lines of the output
file, assuming the <I>file</I> keyword was used. LAMMPS uses default

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@ -53,6 +53,8 @@
<I>file</I> arg = filename
filename = name of file to output time averages to
<I>overwrite</I> arg = none = overwrite output file with only latest output
<I>format</I> arg = string
string = C-style format string
<I>title1</I> arg = string
string = text to print as 1st line of output file
<I>title2</I> arg = string
@ -253,6 +255,11 @@ array sections.
with the latest output, so that it only contains one timestep worth of
output. This option can only be used with the <I>ave running</I> setting.
</P>
<P>The <I>format</I> keyword sets the numeric format of each value when it is
printed to a file via the <I>file</I> keyword. Note that all values are
floating point quantities. The default format is %g. You can specify
a higher precision if desired, e.g. %20.16g.
</P>
<P>The <I>title1</I> and <I>title2</I> and <I>title3</I> keywords allow specification of
the strings that will be printed as the first 2 or 3 lines of the
output file, assuming the <I>file</I> keyword was used. LAMMPS uses
@ -328,7 +335,7 @@ ave/spatial</A>, <A HREF = "fix_ave_histo.html">fix ave/histo</A>,
<P><B>Default:</B>
</P>
<P>The option defaults are mode = scalar, ave = one, start = 0, no file
output, title 1,2,3 = strings as described above, and no off settings
for any input values.
output, format = %g, title 1,2,3 = strings as described above, and no
off settings for any input values.
</P>
</HTML>