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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13984 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -49,7 +49,7 @@
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<I>python</I> arg = function
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<I>equal</I> or <I>atom</I> args = one formula containing numbers, thermo keywords, math operations, group functions, atom values and vectors, compute/fix/variable references
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numbers = 0.0, 100, -5.4, 2.8e-4, etc
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constants = PI
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constants = PI, version
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thermo keywords = vol, ke, press, etc from <A HREF = "thermo_style.html">thermo_style</A>
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math operators = (), -x, x+y, x-y, x*y, x/y, x^y, x%y,
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x == y, x != y, x < y, x <= y, x > y, x >= y, x && y, x || y, !x
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@ -422,7 +422,7 @@ references to other variables.
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</P>
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<DIV ALIGN=center><TABLE BORDER=1 >
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<TR><TD >Number</TD><TD > 0.2, 100, 1.0e20, -15.4, etc</TD></TR>
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<TR><TD >Constant</TD><TD > PI</TD></TR>
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<TR><TD >Constant</TD><TD > PI, version</TD></TR>
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<TR><TD >Thermo keywords</TD><TD > vol, pe, ebond, etc</TD></TR>
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<TR><TD >Math operators</TD><TD > (), -x, x+y, x-y, x*y, x/y, x^y, x%y, </TD></TR>
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<TR><TD >Math operators</TD><TD > (), -x, x+y, x-y, x*y, x/y, x^y, x%y, x == y, x != y, x < y, x <= y, x > y, x >= y, x && y, x || y, !x</TD></TR>
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@ -457,6 +457,16 @@ When they invoke the atom-style variable, only atoms in the group are
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inlcuded in the formula evaluation. The variable evaluates to 0.0 for
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atoms not in the group.
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</P>
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<P>Constants are set at compile time and cannot be changed. <I>PI</I> will
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return the number 3.14159265358979323846, <I>version</I> will return a
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numeric version code of the current LAMMPS version (e.g. version
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2 Sep 2015 will return the number 20150902). The corresponding value
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for newer versions of LAMMPS will be larger, for older versions of
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LAMMPS will be smaller. This can be used to make input scripts adapt
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automatically to LAMMPS versions, for example:
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</P>
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<PRE>if $(version<20140513) then "communicate vel yes" else "comm_modify vel yes"
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</PRE>
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<P>The thermo keywords allowed in a formula are those defined by the
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<A HREF = "thermo_style.html">thermo_style custom</A> command. Thermo keywords that
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require a <A HREF = "compute.html">compute</A> to calculate their values such as
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