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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5257 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-11-18 17:28:36 +00:00
parent 61dcd4156e
commit 37b51e682f
16 changed files with 296 additions and 126 deletions
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15
doc/run.html
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@ -41,7 +41,7 @@
run 1000000 upto
run 100 start 0 stop 1000
run 1000 pre no post yes
run 100000 start 0 stop 1000000 every 1000 "print Protein Rg = $r"
run 100000 start 0 stop 1000000 every 1000 "print 'Protein Rg = $r'"
run 100000 every 1000 NULL
</PRE>
<P><B>Description:</B>
@ -120,7 +120,10 @@ number of arguments. Each of the trailing arguments is a single
LAMMPS command, and each command should be enclosed in quotes, so that
the entire command will be treated as a single argument. This will
also prevent any variables in the command from being evaluated until
it is executed multiple times during the run.
it is executed multiple times during the run. Note that if a command
itself needs one of its arguments quoted (e.g. the <A HREF = "print.html">print</A>
command), then you can use a combination of single and double quotes,
as in the example above.
</P>
<P>The <I>every</I> keyword is a means to avoid listing a long series of runs
and interleaving commands in your input script. For example, a
@ -161,10 +164,10 @@ command can be spread across many lines, though it is still a single
command:
</P>
<PRE>run 100000 every 1000 &
"print Minimum value = $a" &
"print Maximum value = $b" &
"print Temp = $c" &
"print Press = $d"
"print 'Minimum value = $a'" &
"print 'Maximum value = $b'" &
"print 'Temp = $c'" &
"print 'Press = $d'"
</PRE>
<P>If the <I>pre</I> and <I>post</I> options are set to "no" when used with the
<I>every</I> keyword, then the 1st run will do the full setup and the last