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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5033 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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sjplimp
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@ -57,7 +57,7 @@
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xcm(group,dim,region), vcm(group,dim,region), fcm(group,dim,region),
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bound(group,xmin,region), gyration(group,region), ke(group,reigon),
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angmom(group,dim,region), inertia(group,dimdim,region),omega(group,dim,region)
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special functions = sum(x), min(x), max(x), ave(x), trap(x)
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special functions = sum(x), min(x), max(x), ave(x), trap(x), gmask(x), rmask(x), grmask(x,y)
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atom value = mass[i], type[i], x[i], y[i], z[i], vx[i], vy[i], vz[i], fx[i], fy[i], fz[i]
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atom vector = mass, type, x, y, z, vx, vy, vz, fx, fy, fz
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compute references = c_ID, c_ID[i], c_ID[i][j]
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@ -276,7 +276,7 @@ references to other variables.
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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(x,y,z), normal(x,y,z), ceil(x), floor(x), round(x), ramp(x,y), stagger(x,y), logfreq(x,y,z), vdisplace(x,y), swiggle(x,y,z), cwiggle(x,y,z)</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 > sum(x), min(x), max(x), ave(x), trap(x)</TD></TR>
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<TR><TD >Special functions</TD><TD > sum(x), min(x), max(x), ave(x), trap(x), gmask(x), rmask(x), grmask(x,y)</TD></TR>
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<TR><TD >Atom values</TD><TD > mass[i], type[i], x[i], y[i], z[i], vx[i], vy[i], vz[i], fx[i], fy[i], fz[i]</TD></TR>
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<TR><TD >Atom vectors</TD><TD > mass, type, x, y, z, vx, vy, vz, fx, fy, fz</TD></TR>
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<TR><TD >Compute references</TD><TD > c_ID, c_ID[i], c_ID[i][j]</TD></TR>
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@ -499,10 +499,10 @@ produces a global array, then the notation with "[N]" should be
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used, when N is an integer, to specify which column of the global
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array is being referenced.
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</P>
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<P>All of these functions operate on the global vector of inputs and
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reduce it to a single scalar value. This is analagous to the
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operation of the <A HREF = "compute_reduce.html">compute reduce</A> command, which
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invokes the same functions on per-atom and local vectors.
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<P>These functions operate on the global vector of inputs and reduce it
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to a single scalar value. This is analagous to the operation of the
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<A HREF = "compute_reduce.html">compute reduce</A> command, which invokes the same
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functions on per-atom and local vectors.
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</P>
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<P>The sum() function calculates the sum of all the vector elements. The
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min() and max() functions find the minimum and maximum element
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@ -519,6 +519,19 @@ timestep size, this function is useful for calculating integrals of
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time-series data, like that generated by the <A HREF = "fix_ave_correlate.html">fix
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ave/correlate</A> command.
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</P>
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<P>The gmask(x) function takes 1 argument which is a group ID. It
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can only be used in atom-style variables. It returns a 1 for
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atoms that are in the group, and a 0 for atoms that are not.
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</P>
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<P>The rmask(x) function takes 1 argument which is a region ID. It can
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only be used in atom-style variables. It returns a 1 for atoms that
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are in the geometric region, and a 0 for atoms that are not.
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</P>
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<P>The grmask(x,y) function takes 2 arguments. The first is a group ID,
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and the second is a region ID. It can only be used in atom-style
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variables. It returns a 1 for atoms that are in both the group and
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region, and a 0 for atoms that are not in both.
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</P>
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<HR>
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<H4>Atom Values and Vectors
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@ -52,7 +52,7 @@ style = {delete} or {index} or {loop} or {world} or {universe} or {uloop} or {st
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xcm(group,dim,region), vcm(group,dim,region), fcm(group,dim,region),
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bound(group,xmin,region), gyration(group,region), ke(group,reigon),
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angmom(group,dim,region), inertia(group,dimdim,region),omega(group,dim,region)
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special functions = sum(x), min(x), max(x), ave(x), trap(x)
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special functions = sum(x), min(x), max(x), ave(x), trap(x), gmask(x), rmask(x), grmask(x,y)
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atom value = mass\[i\], type\[i\], x\[i\], y\[i\], z\[i\], vx\[i\], vy\[i\], vz\[i\], fx\[i\], fy\[i\], fz\[i\]
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atom vector = mass, type, x, y, z, vx, vy, vz, fx, fy, fz
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compute references = c_ID, c_ID\[i\], c_ID\[i\]\[j\]
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@ -275,7 +275,7 @@ Region functions: count(ID,IDR), mass(ID,IDR), charge(ID,IDR), \
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xcm(ID,dim,IDR), vcm(ID,dim,IDR), fcm(ID,dim,IDR), \
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bound(ID,dir,IDR), gyration(ID,IDR), ke(ID,IDR), \
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angmom(ID,dim,IDR), inertia(ID,dimdim,IDR), omega(ID,dim,IDR)
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Special functions: sum(x), min(x), max(x), ave(x), trap(x)
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Special functions: sum(x), min(x), max(x), ave(x), trap(x), gmask(x), rmask(x), grmask(x,y)
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Atom values: mass\[i\], type\[i\], x\[i\], y\[i\], z\[i\], \
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vx\[i\], vy\[i\], vz\[i\], fx\[i\], fy\[i\], fz\[i\]
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Atom vectors: mass, type, x, y, z, vx, vy, vz, fx, fy, fz
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@ -498,10 +498,10 @@ produces a global array, then the notation with "\[N\]" should be
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used, when N is an integer, to specify which column of the global
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array is being referenced.
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All of these functions operate on the global vector of inputs and
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reduce it to a single scalar value. This is analagous to the
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operation of the "compute reduce"_compute_reduce.html command, which
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invokes the same functions on per-atom and local vectors.
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These functions operate on the global vector of inputs and reduce it
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to a single scalar value. This is analagous to the operation of the
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"compute reduce"_compute_reduce.html command, which invokes the same
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functions on per-atom and local vectors.
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The sum() function calculates the sum of all the vector elements. The
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min() and max() functions find the minimum and maximum element
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@ -518,6 +518,19 @@ timestep size, this function is useful for calculating integrals of
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time-series data, like that generated by the "fix
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ave/correlate"_fix_ave_correlate.html command.
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The gmask(x) function takes 1 argument which is a group ID. It
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can only be used in atom-style variables. It returns a 1 for
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atoms that are in the group, and a 0 for atoms that are not.
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The rmask(x) function takes 1 argument which is a region ID. It can
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only be used in atom-style variables. It returns a 1 for atoms that
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are in the geometric region, and a 0 for atoms that are not.
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The grmask(x,y) function takes 2 arguments. The first is a group ID,
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and the second is a region ID. It can only be used in atom-style
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variables. It returns a 1 for atoms that are in both the group and
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region, and a 0 for atoms that are not in both.
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:line
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Atom Values and Vectors :h4
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