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doc/run.html
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doc/run.html
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@ -156,6 +156,16 @@ print Coord = $q
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particular atom between runs. Note that the variable "$q" will
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be evaluated afresh each time the print command is executed.
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</P>
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<P>Note that by using the line continuation character "&", the run every
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command can be spread across many lines, though it is still a single
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command:
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</P>
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<PRE>run 100000 every 1000 &
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"print Minimum value = $a" &
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"print Maximum value = $b" &
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"print Temp = $c" &
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"print Press = $d"
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</PRE>
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<P>If the <I>pre</I> and <I>post</I> options are set to "no" when used with the
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<I>every</I> keyword, then the 1st run will do the full setup and the last
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run will print the full timing summary, but these operations will be
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10
doc/run.txt
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doc/run.txt
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@ -149,6 +149,16 @@ which does 3 runs of 2000 steps and prints the x-coordinate of a
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particular atom between runs. Note that the variable "$q" will
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be evaluated afresh each time the print command is executed.
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Note that by using the line continuation character "&", the run every
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command can be spread across many lines, though it is still a single
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command:
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run 100000 every 1000 &
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"print Minimum value = $a" &
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"print Maximum value = $b" &
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"print Temp = $c" &
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"print Press = $d" :pre
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If the {pre} and {post} options are set to "no" when used with the
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{every} keyword, then the 1st run will do the full setup and the last
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run will print the full timing summary, but these operations will be
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