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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1800 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -27,7 +27,10 @@
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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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thermo keywords = vol, ke, press, etc from <A HREF = "thermo_style.html">thermo_style</A>
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math operations = (), -x, x+y, x-y, x*y, x/y, x^y, sqrt(x), exp(x), ln(x), ceil(x), floor(x), round(x)
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math operations = (), -x, x+y, x-y, x*y, x/y, x^y,
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sqrt(x), exp(x), ln(x), log(x),
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sin(x), cos(x), tan(x), asin(x), acos(x), atan(x),
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ceil(x), floor(x), round(x)
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group functions = count(group), mass(group), charge(group),
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xcm(group,dim), vcm(group,dim), fcm(group,dim),
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bound(group,xmin), gyration(group)
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@ -213,7 +216,7 @@ references, fix references, and references to other variables.
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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 >Thermo keywords</TD><TD > vol, pe, ebond, etc</TD></TR>
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<TR><TD >Math operations</TD><TD > (), -x, x+y, x-y, x*y, x/y, x^y, sqrt(x), exp(x), ln(x), ceil(x), floor(x), round(x)</TD></TR>
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<TR><TD >Math operations</TD><TD > (), -x, x+y, x-y, x*y, x/y, x^y, sqrt(x), exp(x), ln(x), log(x), sin(x), cos(x), tan(x), asin(x), acos(x), atan(x), ceil(x), floor(x), round(x)</TD></TR>
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<TR><TD >Group functions</TD><TD > count(ID), mass(ID), charge(ID), xcm(ID,dim), vcm(ID,dim), fcm(ID,dim), bound(ID,dir), gyration(ID)</TD></TR>
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<TR><TD >Atom values</TD><TD > mass[N], x[N], y[N], z[N], vx[N], vy[N], vz[N], fx[N], fy[N], fz[N]</TD></TR>
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<TR><TD >Atom vectors</TD><TD > mass[], x[], y[], z[], vx[], vy[], vz[], fx[], fy[], fz[]</TD></TR>
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@ -240,16 +243,16 @@ begins.
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<P>Math operations are written in the usual way, where the "x" and "y" in
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the examples above can be another section of the formula. Operators
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are evaluated left to right and have the usual precedence: unary minus
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before exponentiation, exponentiation before multiplication and
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before exponentiation ("^"), exponentiation before multiplication and
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division, and multiplication and division before addition and
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subtraction. Parenthesis can be used to group one or more portions of
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a formula and enforce a desired order of operations. Additional math
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operations can be specified as keywords followed by a parenthesized
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argument, e.g. sqrt(v_ke). The ceil(), floor(), and round()
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operations are those in the C math library. Ceil() is the smallest
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integer not less than its argument. Floor() if the largest integer
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not greater than its argument. Round() is the nearest integer to its
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argument.
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argument, e.g. sqrt(v_ke). Note that ln() is the natural log; log()
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is the base 10 log. The ceil(), floor(), and round() operations are
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those in the C math library. Ceil() is the smallest integer not less
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than its argument. Floor() if the largest integer not greater than
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its argument. Round() is the nearest integer to its argument.
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</P>
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<P>Group functions take one or two arguments in a specific format. The
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first argument is the group-ID. The <I>dim</I> argument, if it exists, is
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@ -22,7 +22,10 @@ style = {index} or {loop} or {world} or {universe} or {uloop} or {equal} or {ato
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{equal} or {atom} 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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thermo keywords = vol, ke, press, etc from "thermo_style"_thermo_style.html
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math operations = (), -x, x+y, x-y, x*y, x/y, x^y, sqrt(x), exp(x), ln(x), ceil(x), floor(x), round(x)
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math operations = (), -x, x+y, x-y, x*y, x/y, x^y,
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sqrt(x), exp(x), ln(x), log(x),
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sin(x), cos(x), tan(x), asin(x), acos(x), atan(x),
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ceil(x), floor(x), round(x)
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group functions = count(group), mass(group), charge(group),
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xcm(group,dim), vcm(group,dim), fcm(group,dim),
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bound(group,xmin), gyration(group)
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@ -206,7 +209,7 @@ references, fix references, and references to other variables.
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Number: 0.2, 100, 1.0e20, -15.4, etc
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Thermo keywords: vol, pe, ebond, etc
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Math operations: (), -x, x+y, x-y, x*y, x/y, x^y, sqrt(x), exp(x), ln(x), ceil(x), floor(x), round(x)
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Math operations: (), -x, x+y, x-y, x*y, x/y, x^y, sqrt(x), exp(x), ln(x), log(x), sin(x), cos(x), tan(x), asin(x), acos(x), atan(x), ceil(x), floor(x), round(x)
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Group functions: count(ID), mass(ID), charge(ID), xcm(ID,dim), \
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vcm(ID,dim), fcm(ID,dim), bound(ID,dir), gyration(ID)
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Atom values: mass\[N\], x\[N\], y\[N\], z\[N\], \
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@ -235,16 +238,16 @@ begins.
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Math operations are written in the usual way, where the "x" and "y" in
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the examples above can be another section of the formula. Operators
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are evaluated left to right and have the usual precedence: unary minus
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before exponentiation, exponentiation before multiplication and
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before exponentiation ("^"), exponentiation before multiplication and
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division, and multiplication and division before addition and
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subtraction. Parenthesis can be used to group one or more portions of
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a formula and enforce a desired order of operations. Additional math
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operations can be specified as keywords followed by a parenthesized
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argument, e.g. sqrt(v_ke). The ceil(), floor(), and round()
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operations are those in the C math library. Ceil() is the smallest
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integer not less than its argument. Floor() if the largest integer
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not greater than its argument. Round() is the nearest integer to its
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argument.
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argument, e.g. sqrt(v_ke). Note that ln() is the natural log; log()
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is the base 10 log. The ceil(), floor(), and round() operations are
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those in the C math library. Ceil() is the smallest integer not less
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than its argument. Floor() if the largest integer not greater than
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its argument. Round() is the nearest integer to its argument.
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Group functions take one or two arguments in a specific format. The
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first argument is the group-ID. The {dim} argument, if it exists, is
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