''

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13894 f3b2605a-c512-4ea7-a41b-209d697bcdaa

doc/Manual.txt

@@ -85,7 +85,7 @@ it gives quick access to documentation for all LAMMPS commands.
 
 .. toctree::
    :maxdepth: 2
-   :numbered: // comment
+   :numbered:
    
    Section_intro
    Section_start
@@ -105,8 +105,8 @@ it gives quick access to documentation for all LAMMPS commands.
 Indices and tables
 ==================
 
-* :ref:`genindex` // comment
-* :ref:`search` // comment
+* :ref:`genindex`
+* :ref:`search`
    
 END_RST -->
 

doc/compute_xrd.html

@@ -159,15 +159,15 @@
 compute 2 all xrd 1.541838 Al O 2Theta 10 100 c 0.05 0.05 0.05 LP 1 manual
 </pre></div>
 </div>
-<div class="highlight-python"><div class="highlight"><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
+<div class="highlight-python"><div class="highlight"><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></div>
 </div>
 </div>
 <div class="section" id="description">
 <h2>Description<a class="headerlink" href="#description" title="Permalink to this headline">¶</a></h2>
 <p>Define a computation that calculates x-ray diffraction intensity as described
-in <a class="reference internal" href="fix_saed_vtk.html#coleman"><span>(Coleman)</span></a> on a mesh of reciprocal lattice nodes defined
+in <a class="reference internal" href="#coleman"><span>(Coleman)</span></a> on a mesh of reciprocal lattice nodes defined
 by the entire simulation domain (or manually) using a simulated radiation
 of wavelength lambda.</p>
 <p>The x-ray diffraction intensity, I, at each reciprocal lattice point, k,

doc/compute_xrd.txt

@@ -37,8 +37,8 @@ keyword = {2Theta} or {c} or {LP} or {manual} or {echo} :l
 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
 
-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
 

doc/fix_ave_chunk.html

@@ -173,6 +173,8 @@ v_name = per-atom vector calculated by an atom-style variable with name
 <em>file</em> arg = filename
   filename = file to write results to
 <em>overwrite</em> arg = none = overwrite output file with only latest output
+<em>format</em> arg = string
+  string = C-style format string
 <em>title1</em> arg = string
   string = text to print as 1st line of output file
 <em>title2</em> arg = string
@@ -437,6 +439,10 @@ quantities, as explained above.</p>
 <p>The <em>overwrite</em> keyword will continuously overwrite the output file
 with the latest output, so that it only contains one timestep worth of
 output.  This option can only be used with the <em>ave running</em> setting.</p>
+<p>The <em>format</em> keyword sets the numeric format of each value when it is
+printed to a file via the <em>file</em> 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 <em>title1</em> and <em>title2</em> and <em>title3</em> keywords allow specification of
 the strings that will be printed as the first 3 lines of the output
 file, assuming the <em>file</em> keyword was used.  LAMMPS uses default

doc/fix_ave_chunk.txt

@@ -48,6 +48,8 @@ keyword = {norm} or {ave} or {bias} or {adof} or {cdof} or {file} or {overwrite}
   {file} arg = filename
     filename = file to write results to
   {overwrite} arg = none = overwrite output file with only latest output
+  {format} arg = string
+    string = C-style format string
   {title1} arg = string
     string = text to print as 1st line of output file
   {title2} arg = string
@@ -357,6 +359,11 @@ The {overwrite} keyword will continuously overwrite the output file
 with the latest output, so that it only contains one timestep worth of
 output.  This option can only be used with the {ave running} setting.
 
+The {format} keyword sets the numeric format of each value when it is
+printed to a file via the {file} 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.
+
 The {title1} and {title2} and {title3} keywords allow specification of
 the strings that will be printed as the first 3 lines of the output
 file, assuming the {file} keyword was used.  LAMMPS uses default

doc/fix_ave_time.html

@@ -166,6 +166,8 @@ v_name = global value calculated by an equal-style variable with name
 <em>file</em> arg = filename
   filename = name of file to output time averages to
 <em>overwrite</em> arg = none = overwrite output file with only latest output
+<em>format</em> arg = string
+  string = C-style format string
 <em>title1</em> arg = string
   string = text to print as 1st line of output file
 <em>title2</em> arg = string
@@ -336,6 +338,10 @@ array sections.</p>
 <p>The <em>overwrite</em> keyword will continuously overwrite the output file
 with the latest output, so that it only contains one timestep worth of
 output.  This option can only be used with the <em>ave running</em> setting.</p>
+<p>The <em>format</em> keyword sets the numeric format of each value when it is
+printed to a file via the <em>file</em> 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 <em>title1</em> and <em>title2</em> and <em>title3</em> keywords allow specification of
 the strings that will be printed as the first 2 or 3 lines of the
 output file, assuming the <em>file</em> keyword was used.  LAMMPS uses
@@ -403,8 +409,8 @@ the <a class="reference internal" href="run.html"><em>run</em></a> command.  Thi
 <div class="section" id="default">
 <h2>Default<a class="headerlink" href="#default" title="Permalink to this headline">¶</a></h2>
 <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.</p>
+output, format = %g, title 1,2,3 = strings as described above, and no
+off settings for any input values.</p>
 </div>
 </div>
 

doc/fix_ave_time.txt

@@ -41,6 +41,8 @@ keyword = {mode} or {file} or {ave} or {start} or {off} or {overwrite} or {title
   {file} arg = filename
     filename = name of file to output time averages to
   {overwrite} arg = none = overwrite output file with only latest output
+  {format} arg = string
+    string = C-style format string
   {title1} arg = string
     string = text to print as 1st line of output file
   {title2} arg = string
@@ -240,6 +242,11 @@ The {overwrite} keyword will continuously overwrite the output file
 with the latest output, so that it only contains one timestep worth of
 output.  This option can only be used with the {ave running} setting.
 
+The {format} keyword sets the numeric format of each value when it is
+printed to a file via the {file} 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.
+
 The {title1} and {title2} and {title3} keywords allow specification of
 the strings that will be printed as the first 2 or 3 lines of the
 output file, assuming the {file} keyword was used.  LAMMPS uses
@@ -315,5 +322,5 @@ ave/spatial"_fix_ave_spatial.html, "fix ave/histo"_fix_ave_histo.html,
 [Default:]
 
 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.