git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1800 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2008-05-15 20:32:10 +00:00
parent e73bae6533
commit 5b61e42173
2 changed files with 22 additions and 16 deletions

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@ -27,7 +27,10 @@
<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
numbers = 0.0, 100, -5.4, 2.8e-4, etc
thermo keywords = vol, ke, press, etc from <A HREF = "thermo_style.html">thermo_style</A>
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)
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)
group functions = count(group), mass(group), charge(group),
xcm(group,dim), vcm(group,dim), fcm(group,dim),
bound(group,xmin), gyration(group)
@ -213,7 +216,7 @@ references, fix references, and references to other variables.
<DIV ALIGN=center><TABLE BORDER=1 >
<TR><TD >Number</TD><TD > 0.2, 100, 1.0e20, -15.4, etc</TD></TR>
<TR><TD >Thermo keywords</TD><TD > vol, pe, ebond, etc</TD></TR>
<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>
<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>
<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>
<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>
<TR><TD >Atom vectors</TD><TD > mass[], x[], y[], z[], vx[], vy[], vz[], fx[], fy[], fz[]</TD></TR>
@ -240,16 +243,16 @@ begins.
<P>Math operations are written in the usual way, where the "x" and "y" in
the examples above can be another section of the formula. Operators
are evaluated left to right and have the usual precedence: unary minus
before exponentiation, exponentiation before multiplication and
before exponentiation ("^"), exponentiation before multiplication and
division, and multiplication and division before addition and
subtraction. Parenthesis can be used to group one or more portions of
a formula and enforce a desired order of operations. Additional math
operations can be specified as keywords followed by a parenthesized
argument, e.g. sqrt(v_ke). The ceil(), floor(), and round()
operations are those in the C math library. Ceil() is the smallest
integer not less than its argument. Floor() if the largest integer
not greater than its argument. Round() is the nearest integer to its
argument.
argument, e.g. sqrt(v_ke). Note that ln() is the natural log; log()
is the base 10 log. The ceil(), floor(), and round() operations are
those in the C math library. Ceil() is the smallest integer not less
than its argument. Floor() if the largest integer not greater than
its argument. Round() is the nearest integer to its argument.
</P>
<P>Group functions take one or two arguments in a specific format. The
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
{equal} or {atom} args = one formula containing numbers, thermo keywords, math operations, group functions, atom values and vectors, compute/fix/variable references
numbers = 0.0, 100, -5.4, 2.8e-4, etc
thermo keywords = vol, ke, press, etc from "thermo_style"_thermo_style.html
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)
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)
group functions = count(group), mass(group), charge(group),
xcm(group,dim), vcm(group,dim), fcm(group,dim),
bound(group,xmin), gyration(group)
@ -206,7 +209,7 @@ references, fix references, and references to other variables.
Number: 0.2, 100, 1.0e20, -15.4, etc
Thermo keywords: vol, pe, ebond, etc
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)
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)
Group functions: count(ID), mass(ID), charge(ID), xcm(ID,dim), \
vcm(ID,dim), fcm(ID,dim), bound(ID,dir), gyration(ID)
Atom values: mass\[N\], x\[N\], y\[N\], z\[N\], \
@ -235,16 +238,16 @@ begins.
Math operations are written in the usual way, where the "x" and "y" in
the examples above can be another section of the formula. Operators
are evaluated left to right and have the usual precedence: unary minus
before exponentiation, exponentiation before multiplication and
before exponentiation ("^"), exponentiation before multiplication and
division, and multiplication and division before addition and
subtraction. Parenthesis can be used to group one or more portions of
a formula and enforce a desired order of operations. Additional math
operations can be specified as keywords followed by a parenthesized
argument, e.g. sqrt(v_ke). The ceil(), floor(), and round()
operations are those in the C math library. Ceil() is the smallest
integer not less than its argument. Floor() if the largest integer
not greater than its argument. Round() is the nearest integer to its
argument.
argument, e.g. sqrt(v_ke). Note that ln() is the natural log; log()
is the base 10 log. The ceil(), floor(), and round() operations are
those in the C math library. Ceil() is the smallest integer not less
than its argument. Floor() if the largest integer not greater than
its argument. Round() is the nearest integer to its argument.
Group functions take one or two arguments in a specific format. The
first argument is the group-ID. The {dim} argument, if it exists, is