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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4201 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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2010-05-28 16:45:33 +00:00
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35
doc/variable.html
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@ -37,11 +37,11 @@
group functions = count(group), mass(group), charge(group), group functions = count(group), mass(group), charge(group),
xcm(group,dim), vcm(group,dim), fcm(group,dim), xcm(group,dim), vcm(group,dim), fcm(group,dim),
bound(group,xmin), gyration(group), ke(group), bound(group,xmin), gyration(group), ke(group),
angmom(group,dim) angmom(group,dim),inertia(group,dimdim),omega(group,dim)
region functions = count(group,region), mass(group,region), charge(group,region), region functions = count(group,region), mass(group,region), charge(group,region),
xcm(group,dim,region), vcm(group,dim,region), fcm(group,dim,region), xcm(group,dim,region), vcm(group,dim,region), fcm(group,dim,region),
bound(group,xmin,region), gyration(group,region), ke(group,reigon), bound(group,xmin,region), gyration(group,region), ke(group,reigon),
angmom(group,dim,region) angmom(group,dim,region), inertia(group,dimdim,region),omega(group,dim,region)
atom value = mass[i], type[i], x[i], y[i], z[i], vx[i], vy[i], vz[i], fx[i], fy[i], fz[i] atom value = mass[i], type[i], x[i], y[i], z[i], vx[i], vy[i], vz[i], fx[i], fy[i], fz[i]
atom vector = mass, type, x, y, z, vx, vy, vz, fx, fy, fz atom vector = mass, type, x, y, z, vx, vy, vz, fx, fy, fz
compute references = c_ID, c_ID[i], c_ID[i][j] compute references = c_ID, c_ID[i], c_ID[i][j]
@ -254,8 +254,8 @@ references to other variables.
<TR><TD >Thermo keywords</TD><TD > vol, pe, ebond, etc</TD></TR> <TR><TD >Thermo keywords</TD><TD > vol, pe, ebond, etc</TD></TR>
<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> <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>
<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), ceil(x), floor(x), round(x)</TD></TR> <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), 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), ke(ID), angmom(ID,dim)</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), ke(ID), angmom(ID,dim), inertia(ID,dimdim), omega(ID,dim)</TD></TR>
<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)</TD></TR> <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>
<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> <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>
<TR><TD >Atom vectors</TD><TD > mass, type, x, y, z, vx, vy, vz, fx, fy, fz</TD></TR> <TR><TD >Atom vectors</TD><TD > mass, type, x, y, z, vx, vy, vz, fx, fy, fz</TD></TR>
<TR><TD >Compute references</TD><TD > c_ID, c_ID[i], c_ID[i][j]</TD></TR> <TR><TD >Compute references</TD><TD > c_ID, c_ID[i], c_ID[i][j]</TD></TR>
@ -326,17 +326,22 @@ to its argument.
<P>Group functions take one or two arguments in a specific format. The <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 first argument is the group-ID. The <I>dim</I> argument, if it exists, is
<I>x</I> or <I>y</I> or <I>z</I>. The <I>dir</I> argument, if it exists, is <I>xmin</I>, <I>x</I> or <I>y</I> or <I>z</I>. The <I>dir</I> argument, if it exists, is <I>xmin</I>,
<I>xmax</I>, <I>ymin</I>, <I>ymax</I>, <I>zmin</I>, or <I>zmax</I>. The group function count() <I>xmax</I>, <I>ymin</I>, <I>ymax</I>, <I>zmin</I>, or <I>zmax</I>. The <I>dimdim</I> argument, if it
is the number of atoms in the group. The group functions mass() and exists, is <I>xx</I> or <I>yy</I> or <I>zz</I> or <I>xy</I> or <I>yz</I> or <I>xz</I>.
charge() are the total mass and charge of the group. Xcm() and vcm() </P>
return components of the position and velocity of the center of mass <P>The group function count() is the number of atoms in the group. The
of the group. Fcm() returns a component of the total force on the group functions mass() and charge() are the total mass and charge of
group of atoms. Bound() returns the min/max of a particular the group. Xcm() and vcm() return components of the position and
coordinate for all atoms in the group. Gyration() computes the velocity of the center of mass of the group. Fcm() returns a
radius-of-gyration of the group of atoms. See the <A HREF = "compute_gyration.html">compute component of the total force on the group of atoms. Bound() returns
gyration</A> command for a definition of the the min/max of a particular coordinate for all atoms in the group.
formula. Angmom() returns components of the angular momentum of the Gyration() computes the radius-of-gyration of the group of atoms. See
group of atoms around its center of mass. the <A HREF = "compute_gyration.html">compute gyration</A> command for a definition
of the formula. Angmom() returns components of the angular momentum
of the group of atoms around its center of mass. Inertia() returns
one of 6 components of the inertia tensor of the group of atoms around
its center of mass. Omega() returns components of the angular
velocity of the group of atoms around its center of mass.
</P> </P>
<P>Region functions are exactly the same as group functions except they <P>Region functions are exactly the same as group functions except they
take an extra argument which is the region ID. The function is take an extra argument which is the region ID. The function is

36
doc/variable.txt
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@ -32,11 +32,11 @@ style = {delete} or {index} or {loop} or {world} or {universe} or {uloop} or {st
group functions = count(group), mass(group), charge(group), group functions = count(group), mass(group), charge(group),
xcm(group,dim), vcm(group,dim), fcm(group,dim), xcm(group,dim), vcm(group,dim), fcm(group,dim),
bound(group,xmin), gyration(group), ke(group), bound(group,xmin), gyration(group), ke(group),
angmom(group,dim) angmom(group,dim),inertia(group,dimdim),omega(group,dim)
region functions = count(group,region), mass(group,region), charge(group,region), region functions = count(group,region), mass(group,region), charge(group,region),
xcm(group,dim,region), vcm(group,dim,region), fcm(group,dim,region), xcm(group,dim,region), vcm(group,dim,region), fcm(group,dim,region),
bound(group,xmin,region), gyration(group,region), ke(group,reigon), bound(group,xmin,region), gyration(group,region), ke(group,reigon),
angmom(group,dim,region) angmom(group,dim,region), inertia(group,dimdim,region),omega(group,dim,region)
atom value = mass\[i\], type\[i\], x\[i\], y\[i\], z\[i\], vx\[i\], vy\[i\], vz\[i\], fx\[i\], fy\[i\], fz\[i\] atom value = mass\[i\], type\[i\], x\[i\], y\[i\], z\[i\], vx\[i\], vy\[i\], vz\[i\], fx\[i\], fy\[i\], fz\[i\]
atom vector = mass, type, x, y, z, vx, vy, vz, fx, fy, fz atom vector = mass, type, x, y, z, vx, vy, vz, fx, fy, fz
compute references = c_ID, c_ID\[i\], c_ID\[i\]\[j\] compute references = c_ID, c_ID\[i\], c_ID\[i\]\[j\]
@ -249,11 +249,12 @@ Math operators: (), -x, x+y, x-y, x*y, x/y, x^y, x==y, x!=y, x<y, x<=y, x>y, x>=
Math functions: 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) Math functions: 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), \ Group functions: count(ID), mass(ID), charge(ID), xcm(ID,dim), \
vcm(ID,dim), fcm(ID,dim), bound(ID,dir), \ vcm(ID,dim), fcm(ID,dim), bound(ID,dir), \
gyration(ID), ke(ID), angmom(ID,dim) gyration(ID), ke(ID), angmom(ID,dim), \
inertia(ID,dimdim), omega(ID,dim)
Region functions: count(ID,IDR), mass(ID,IDR), charge(ID,IDR), \ Region functions: count(ID,IDR), mass(ID,IDR), charge(ID,IDR), \
xcm(ID,dim,IDR), vcm(ID,dim,IDR), fcm(ID,dim,IDR), \ xcm(ID,dim,IDR), vcm(ID,dim,IDR), fcm(ID,dim,IDR), \
bound(ID,dir,IDR), gyration(ID,IDR), ke(ID,IDR), \ bound(ID,dir,IDR), gyration(ID,IDR), ke(ID,IDR), \
angmom(ID,dim,IDR) angmom(ID,dim,IDR), inertia(ID,dimdim,IDR), omega(ID,dim,IDR)
Atom values: mass\[i\], type\[i\], x\[i\], y\[i\], z\[i\], \ Atom values: mass\[i\], type\[i\], x\[i\], y\[i\], z\[i\], \
vx\[i\], vy\[i\], vz\[i\], fx\[i\], fy\[i\], fz\[i\] vx\[i\], vy\[i\], vz\[i\], fx\[i\], fy\[i\], fz\[i\]
Atom vectors: mass, type, x, y, z, vx, vy, vz, fx, fy, fz Atom vectors: mass, type, x, y, z, vx, vy, vz, fx, fy, fz
@ -324,17 +325,22 @@ to its argument.
Group functions take one or two arguments in a specific format. The 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 first argument is the group-ID. The {dim} argument, if it exists, is
{x} or {y} or {z}. The {dir} argument, if it exists, is {xmin}, {x} or {y} or {z}. The {dir} argument, if it exists, is {xmin},
{xmax}, {ymin}, {ymax}, {zmin}, or {zmax}. The group function count() {xmax}, {ymin}, {ymax}, {zmin}, or {zmax}. The {dimdim} argument, if it
is the number of atoms in the group. The group functions mass() and exists, is {xx} or {yy} or {zz} or {xy} or {yz} or {xz}.
charge() are the total mass and charge of the group. Xcm() and vcm()
return components of the position and velocity of the center of mass The group function count() is the number of atoms in the group. The
of the group. Fcm() returns a component of the total force on the group functions mass() and charge() are the total mass and charge of
group of atoms. Bound() returns the min/max of a particular the group. Xcm() and vcm() return components of the position and
coordinate for all atoms in the group. Gyration() computes the velocity of the center of mass of the group. Fcm() returns a
radius-of-gyration of the group of atoms. See the "compute component of the total force on the group of atoms. Bound() returns
gyration"_compute_gyration.html command for a definition of the the min/max of a particular coordinate for all atoms in the group.
formula. Angmom() returns components of the angular momentum of the Gyration() computes the radius-of-gyration of the group of atoms. See
group of atoms around its center of mass. the "compute gyration"_compute_gyration.html command for a definition
of the formula. Angmom() returns components of the angular momentum
of the group of atoms around its center of mass. Inertia() returns
one of 6 components of the inertia tensor of the group of atoms around
its center of mass. Omega() returns components of the angular
velocity of the group of atoms around its center of mass.
Region functions are exactly the same as group functions except they Region functions are exactly the same as group functions except they
take an extra argument which is the region ID. The function is take an extra argument which is the region ID. The function is