git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4476 f3b2605a-c512-4ea7-a41b-209d697bcdaa

doc/thermo.html

@@ -32,6 +32,10 @@ at the beginning and end.
 <A HREF = "thermo_style.html">thermo_style</A> and
 <A HREF = "thermo_modify.html">thermo_modify</A> commands.
 </P>
+<P>The timesteps on which thermo output is written can also be controlled
+by a <A HREF = "variable.html">variable</A>.  See the <A HREF = "thermo_modify.html">thermo_modify
+every</A> command.
+</P>
 <P><B>Restrictions:</B> none
 </P>
 <P><B>Related commands:</B>

doc/thermo.txt

@@ -29,6 +29,10 @@ The content and format of what is printed is controlled by the
 "thermo_style"_thermo_style.html and
 "thermo_modify"_thermo_modify.html commands.
 
+The timesteps on which thermo output is written can also be controlled
+by a "variable"_variable.html.  See the "thermo_modify
+every"_thermo_modify.html command.
+
 [Restrictions:] none
 
 [Related commands:]

doc/thermo_modify.html

@@ -17,7 +17,8 @@
 </PRE>
 <UL><LI>one or more keyword/value pairs may be listed 
 
-<PRE>keyword = <I>lost</I> or <I>norm</I> or <I>flush</I> or <I>line</I> or <I>format</I> or <I>temp</I> or <I>press</I>:l
+<LI>keyword = <I>lost</I> or <I>norm</I> or <I>flush</I> or <I>line</I> or <I>format</I> or <I>temp</I> or <I>press</I> or <I>every</I> 
+
   <I>lost</I> value = <I>error</I> or <I>warn</I> or <I>ignore</I>
   <I>norm</I> value = <I>yes</I> or <I>no</I>
   <I>flush</I> value = <I>yes</I> or <I>no</I>
@@ -26,8 +27,9 @@
     M = integer from 1 to N, where N = # of quantities being printed
     string = C-style format string
   <I>temp</I> value = compute ID that calculates a temperature
-  <I>press</I> value = compute ID that calculates a pressure 
+  <I>press</I> value = compute ID that calculates a pressure
-</PRE>
+  <I>every</I> value = v_name
+    v_name = an equal-style variable name
 
 </UL>
 <P><B>Examples:</B>
@@ -133,6 +135,33 @@ the <I>temp</I> keyword comes before the <I>press</I> keyword, then the new
 pressure compute specified by the <I>press</I> keyword will be unaffected
 by the <I>temp</I> setting.
 </P>
+<P>The <I>every</I> keyword allows a variable to be specified which will
+determine which timesteps thermodynamic output is generated.  The
+variable must be an <A HREF = "variable.html">equal-style variable</A>, and is
+specified as v_name, where "name" is the variable name.  The variable
+is evaluated at the beginning of a run to determine the next timestep
+at which a dump snapshot will be written out.  On that timestep, the
+variable will be evaluated again to determine the next timestep, etc.
+Thus the variable should return timestep values.  See the stagger()
+and logfreq() math functions for <A HREF = "variable.html">equal-style
+variables</A>, as examples of useful functions to use in
+this context.  Other similar math functions could easily be added as
+options for <A HREF = "variable.html">equal-style variables</A>.  In addition,
+thermodynamic output will always occur on the first and last timestep
+of each run.
+</P>
+<P>For example, the following commands will output thermodynamic info at
+timesteps 0,10,20,30,100,200,300,1000,2000,etc:
+</P>
+<PRE>variable	s equal logfreq(10,3,10)
+thermo_modify	1 every v_s 
+</PRE>
+<P>Note that the <I>every</I> keyword overrides the output frequency setting
+made by the <A HREF = "thermo.html">thermo</A> command, by setting it to 0.  If the
+<A HREF = "thermo.html">thermo</A> command is later used to set the output frequency
+to a non-zero value, then the variable setting of the thermo_modify
+every command will be overridden.
+</P>
 <P><B>Restrictions:</B> none
 </P>
 <P><B>Related commands:</B>
@@ -143,7 +172,8 @@ by the <I>temp</I> setting.
 </P>
 <P>The option defaults are lost = error, norm = yes for unit style of
 <I>lj</I>, norm = no for unit style of <I>real</I> and <I>metal</I>, flush = no,
-temp/press = compute IDs defined by thermo_style.
+temp/press = compute IDs defined by thermo_style, every = non-variable
+setting provided by the <A HREF = "thermo.html">thermo</A> command.
 </P>
 <P>The defaults for the line and format options depend on the thermo
 style.  For styles "one" and and "custom" the line and format defaults

doc/thermo_modify.txt

@@ -13,7 +13,7 @@ thermo_modify command :h3
 thermo_modify keyword value ... :pre
 
 one or more keyword/value pairs may be listed :ulb,l
-keyword = {lost} or {norm} or {flush} or {line} or {format} or {temp} or {press}:l
+keyword = {lost} or {norm} or {flush} or {line} or {format} or {temp} or {press} or {every} :l
   {lost} value = {error} or {warn} or {ignore}
   {norm} value = {yes} or {no}
   {flush} value = {yes} or {no}
@@ -22,7 +22,9 @@ keyword = {lost} or {norm} or {flush} or {line} or {format} or {temp} or {press}
     M = integer from 1 to N, where N = # of quantities being printed
     string = C-style format string
   {temp} value = compute ID that calculates a temperature
-  {press} value = compute ID that calculates a pressure :pre
+  {press} value = compute ID that calculates a pressure
+  {every} value = v_name
+    v_name = an equal-style variable name
 :ule
 
 [Examples:]
@@ -128,6 +130,33 @@ the {temp} keyword comes before the {press} keyword, then the new
 pressure compute specified by the {press} keyword will be unaffected
 by the {temp} setting.
 
+The {every} keyword allows a variable to be specified which will
+determine which timesteps thermodynamic output is generated.  The
+variable must be an "equal-style variable"_variable.html, and is
+specified as v_name, where "name" is the variable name.  The variable
+is evaluated at the beginning of a run to determine the next timestep
+at which a dump snapshot will be written out.  On that timestep, the
+variable will be evaluated again to determine the next timestep, etc.
+Thus the variable should return timestep values.  See the stagger()
+and logfreq() math functions for "equal-style
+variables"_variable.html, as examples of useful functions to use in
+this context.  Other similar math functions could easily be added as
+options for "equal-style variables"_variable.html.  In addition,
+thermodynamic output will always occur on the first and last timestep
+of each run.
+
+For example, the following commands will output thermodynamic info at
+timesteps 0,10,20,30,100,200,300,1000,2000,etc:
+
+variable	s equal logfreq(10,3,10)
+thermo_modify	1 every v_s :pre
+
+Note that the {every} keyword overrides the output frequency setting
+made by the "thermo"_thermo.html command, by setting it to 0.  If the
+"thermo"_thermo.html command is later used to set the output frequency
+to a non-zero value, then the variable setting of the thermo_modify
+every command will be overridden.
+
 [Restrictions:] none
 
 [Related commands:]
@@ -138,7 +167,8 @@ by the {temp} setting.
 
 The option defaults are lost = error, norm = yes for unit style of
 {lj}, norm = no for unit style of {real} and {metal}, flush = no,
-temp/press = compute IDs defined by thermo_style.
+temp/press = compute IDs defined by thermo_style, every = non-variable
+setting provided by the "thermo"_thermo.html command.
 
 The defaults for the line and format options depend on the thermo
 style.  For styles "one" and and "custom" the line and format defaults