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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4983 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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sjplimp
parent
e10badba42
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@ -46,7 +46,7 @@
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x==y, x!=y, x<y, x<=y, x>y, x>=y, x&&y, x||y
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math functions = sqrt(x), exp(x), ln(x), log(x),
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sin(x), cos(x), tan(x), asin(x), acos(x), atan(x), atan2(y,x),
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ceil(x), floor(x), round(x)
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random(lo,hi,seed), normal(mu,sigma,seed), 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), ke(group),
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@ -270,7 +270,7 @@ references to other variables.
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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 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</TD></TR>
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<TR><TD >Math functions</TD><TD > sqrt(x), exp(x), ln(x), log(x), sin(x), cos(x), tan(x), asin(x), acos(x), atan(x), atan2(y,x), ceil(x), floor(x), round(x)</TD></TR>
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<TR><TD >Math functions</TD><TD > sqrt(x), exp(x), ln(x), log(x), sin(x), cos(x), tan(x), asin(x), acos(x), atan(x), atan2(y,x), random(lo,hi,seed), normal(mu,sigma,seed), 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), ke(ID), angmom(ID,dim), inertia(ID,dimdim), omega(ID,dim)</TD></TR>
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<TR><TD >Region functions</TD><TD > count(ID,IDR), mass(ID,IDR), charge(ID,IDR), xcm(ID,dim,IDR), vcm(ID,dim,IDR), fcm(ID,dim,IDR), bound(ID,dir,IDR), gyration(ID,IDR), ke(ID,IDR), angmom(ID,dim,IDR), inertia(ID,dimdim,IDR), omega(ID,dim,IDR)</TD></TR>
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<TR><TD >Special functions</TD><TD > ramp(x,y), stagger(x,y), logfreq(x,y,z), sum(x), min(x), max(x), ave(x), trap(x)</TD></TR>
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@ -316,8 +316,8 @@ discussion below about "Variable Accuracy".
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the examples can themselves be arbitrarily complex formulas, as in the
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examples above. In this syntax, "x" and "y" can be scalar values or
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per-atom vectors. For example, "ke/natoms" is the division of two
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scalars, where "y+z" is the element-by-element sum of two per-atom
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vectors of y- and z-coordinates.
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scalars, where "vy+vz" is the element-by-element sum of two per-atom
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vectors of y and z velocities.
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</P>
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<P>Operators are evaluated left to right and have the usual C-style
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precedence: unary minus before exponentiation ("^"); exponentiation
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@ -354,11 +354,28 @@ yields a per-atom vector with each element being the sqrt() of the
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product of one atom's y and z coordinates.
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</P>
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<P>Most of the math functions perform obvious operations. The ln() is
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the natural log; log() is the base 10 log. The ceil(), floor(), and
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round() operations are those in the C math library. Ceil() is the
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smallest integer not less than its argument. Floor() if the largest
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integer not greater than its argument. Round() is the nearest integer
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to its argument.
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the natural log; log() is the base 10 log.
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</P>
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<P>The random() function generates a uniform random number between lo and
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hi. The normal() function generates a Gaussian variate centered on mu
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with variance sigma. In both cases the seed is used the first time
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the internal random number generator is invoked, to initialize it.
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For equal-style variables, every processor uses the same seed. For
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atom-style variables, a new unique seed is created for each processor,
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based on the specified seed. This effectively generates a different
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random number for each atom being looped over.
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</P>
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<P>The ceil(), floor(), and round() functions are those in the C math
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library. Ceil() is the smallest integer not less than its argument.
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Floor() if the largest integer not greater than its argument. Round()
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is the nearest integer to its argument.
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</P>
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<P>IMPORTANT NOTE: Internally, there is just one random number generator
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for equal-style variables and one for atom-style variables. If you
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define multiple variables (of each style) which use the random() or
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normal() math functions, then the internal random number generators
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will only be initialized once, which means only one of the specified
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seeds will determine the sequence of generated random numbers.
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</P>
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<HR>
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@ -41,7 +41,7 @@ style = {delete} or {index} or {loop} or {world} or {universe} or {uloop} or {st
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x==y, x!=y, x<y, x<=y, x>y, x>=y, x&&y, x||y
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math functions = sqrt(x), exp(x), ln(x), log(x),
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sin(x), cos(x), tan(x), asin(x), acos(x), atan(x), atan2(y,x),
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ceil(x), floor(x), round(x)
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random(lo,hi,seed), normal(mu,sigma,seed), 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), ke(group),
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@ -263,7 +263,7 @@ 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 operators: (), -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
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Math functions: sqrt(x), exp(x), ln(x), log(x), sin(x), cos(x), tan(x), asin(x), acos(x), atan(x), atan2(y,x), ceil(x), floor(x), round(x)
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Math functions: sqrt(x), exp(x), ln(x), log(x), sin(x), cos(x), tan(x), asin(x), acos(x), atan(x), atan2(y,x), random(lo,hi,seed), normal(mu,sigma,seed), 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), \
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gyration(ID), ke(ID), angmom(ID,dim), \
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@ -316,8 +316,8 @@ Math operators are written in the usual way, where the "x" and "y" in
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the examples can themselves be arbitrarily complex formulas, as in the
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examples above. In this syntax, "x" and "y" can be scalar values or
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per-atom vectors. For example, "ke/natoms" is the division of two
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scalars, where "y+z" is the element-by-element sum of two per-atom
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vectors of y- and z-coordinates.
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scalars, where "vy+vz" is the element-by-element sum of two per-atom
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vectors of y and z velocities.
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Operators are evaluated left to right and have the usual C-style
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precedence: unary minus before exponentiation ("^"); exponentiation
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@ -354,11 +354,28 @@ yields a per-atom vector with each element being the sqrt() of the
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product of one atom's y and z coordinates.
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Most of the math functions perform obvious operations. The ln() is
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the natural log; log() is the base 10 log. The ceil(), floor(), and
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round() operations are those in the C math library. Ceil() is the
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smallest integer not less than its argument. Floor() if the largest
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integer not greater than its argument. Round() is the nearest integer
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to its argument.
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the natural log; log() is the base 10 log.
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The random() function generates a uniform random number between lo and
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hi. The normal() function generates a Gaussian variate centered on mu
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with variance sigma. In both cases the seed is used the first time
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the internal random number generator is invoked, to initialize it.
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For equal-style variables, every processor uses the same seed. For
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atom-style variables, a new unique seed is created for each processor,
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based on the specified seed. This effectively generates a different
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random number for each atom being looped over.
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The ceil(), floor(), and round() functions are those in the C math
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library. Ceil() is the smallest integer not less than its argument.
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Floor() if the largest integer not greater than its argument. Round()
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is the nearest integer to its argument.
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IMPORTANT NOTE: Internally, there is just one random number generator
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for equal-style variables and one for atom-style variables. If you
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define multiple variables (of each style) which use the random() or
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normal() math functions, then the internal random number generators
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will only be initialized once, which means only one of the specified
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seeds will determine the sequence of generated random numbers.
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:line
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