forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4201 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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sjplimp
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@ -37,11 +37,11 @@
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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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angmom(group,dim)
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angmom(group,dim),inertia(group,dimdim),omega(group,dim)
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region functions = count(group,region), mass(group,region), charge(group,region),
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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)
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angmom(group,dim,region), inertia(group,dimdim,region),omega(group,dim,region)
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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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@ -254,8 +254,8 @@ references to other variables.
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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), 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)</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)</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 >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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@ -326,17 +326,22 @@ to its argument.
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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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<I>x</I> or <I>y</I> or <I>z</I>. The <I>dir</I> argument, if it exists, is <I>xmin</I>,
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<I>xmax</I>, <I>ymin</I>, <I>ymax</I>, <I>zmin</I>, or <I>zmax</I>. The group function count()
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is the number of atoms in the group. The group functions mass() and
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charge() are the total mass and charge of the group. Xcm() and vcm()
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return components of the position and velocity of the center of mass
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of the group. Fcm() returns a component of the total force on the
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group of atoms. Bound() returns the min/max of a particular
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coordinate for all atoms in the group. Gyration() computes the
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radius-of-gyration of the group of atoms. See the <A HREF = "compute_gyration.html">compute
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gyration</A> command for a definition of the
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formula. Angmom() returns components of the angular momentum of the
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group of atoms around its center of mass.
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<I>xmax</I>, <I>ymin</I>, <I>ymax</I>, <I>zmin</I>, or <I>zmax</I>. The <I>dimdim</I> argument, if it
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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>.
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</P>
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<P>The group function count() is the number of atoms in the group. The
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group functions mass() and charge() are the total mass and charge of
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the group. Xcm() and vcm() return components of the position and
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velocity of the center of mass of the group. Fcm() returns a
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component of the total force on the group of atoms. Bound() returns
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the min/max of a particular coordinate for all atoms in the group.
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Gyration() computes the radius-of-gyration of the group of atoms. See
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the <A HREF = "compute_gyration.html">compute gyration</A> command for a definition
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of the formula. Angmom() returns components of the angular momentum
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of the group of atoms around its center of mass. Inertia() returns
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one of 6 components of the inertia tensor of the group of atoms around
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its center of mass. Omega() returns components of the angular
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velocity of the group of atoms around its center of mass.
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</P>
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<P>Region functions are exactly the same as group functions except they
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take an extra argument which is the region ID. The function is
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@ -32,11 +32,11 @@ style = {delete} or {index} or {loop} or {world} or {universe} or {uloop} or {st
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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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angmom(group,dim)
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angmom(group,dim),inertia(group,dimdim),omega(group,dim)
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region functions = count(group,region), mass(group,region), charge(group,region),
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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)
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angmom(group,dim,region), inertia(group,dimdim,region),omega(group,dim,region)
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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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@ -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>=
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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), 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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gyration(ID), ke(ID), angmom(ID,dim), \
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inertia(ID,dimdim), omega(ID,dim)
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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)
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angmom(ID,dim,IDR), inertia(ID,dimdim,IDR), omega(ID,dim,IDR)
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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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@ -324,17 +325,22 @@ 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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{x} or {y} or {z}. The {dir} argument, if it exists, is {xmin},
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{xmax}, {ymin}, {ymax}, {zmin}, or {zmax}. The group function count()
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is the number of atoms in the group. The group functions mass() and
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charge() are the total mass and charge of the group. Xcm() and vcm()
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return components of the position and velocity of the center of mass
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of the group. Fcm() returns a component of the total force on the
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group of atoms. Bound() returns the min/max of a particular
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coordinate for all atoms in the group. Gyration() computes the
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radius-of-gyration of the group of atoms. See the "compute
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gyration"_compute_gyration.html command for a definition of the
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formula. Angmom() returns components of the angular momentum of the
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group of atoms around its center of mass.
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{xmax}, {ymin}, {ymax}, {zmin}, or {zmax}. The {dimdim} argument, if it
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exists, is {xx} or {yy} or {zz} or {xy} or {yz} or {xz}.
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The group function count() is the number of atoms in the group. The
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group functions mass() and charge() are the total mass and charge of
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the group. Xcm() and vcm() return components of the position and
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velocity of the center of mass of the group. Fcm() returns a
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component of the total force on the group of atoms. Bound() returns
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the min/max of a particular coordinate for all atoms in the group.
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Gyration() computes the radius-of-gyration of the group of atoms. See
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the "compute gyration"_compute_gyration.html command for a definition
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of the formula. Angmom() returns components of the angular momentum
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of the group of atoms around its center of mass. Inertia() returns
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one of 6 components of the inertia tensor of the group of atoms around
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its center of mass. Omega() returns components of the angular
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velocity of the group of atoms around its center of mass.
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Region functions are exactly the same as group functions except they
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take an extra argument which is the region ID. The function is
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