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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2777 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -34,7 +34,10 @@
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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)
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bound(group,xmin), gyration(group), ke(group)
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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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atom value = mass[N], x[N], y[N], z[N],
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vx[N], vy[N], vz[N], fx[N], fy[N], fz[N]
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atom vector = mass[], x[], y[], z[],
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@ -245,7 +248,8 @@ references, fix references, and 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 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>
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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)</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)</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)</TD></TR>
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<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>
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<TR><TD >Atom vectors</TD><TD > mass[], 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[2], c_ID[N], c_ID[N][2], c_ID[], c_ID[][2]</TD></TR>
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@ -302,6 +306,12 @@ 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 = "fix_gyration.html">fix
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gyration</A> command for a definition of the formula.
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</P>
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<P>Region functions are exactly the same as group functions with an
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extra argument which is the region ID. The function is computed
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for all atoms that are in both the group and the region. If the
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group is "all", then the only criteria for atom inclusion is
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that it be in the region.
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</P>
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<P>Atom values take a single integer argument from 1-N, which is the
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desired atom-ID, e.g. x[243]., which means use the x coordinate of
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the atom with ID=243.
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@ -29,7 +29,10 @@ style = {delete} or {index} or {loop} or {world} or {universe} or {uloop} or {eq
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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)
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bound(group,xmin), gyration(group), ke(group)
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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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atom value = mass\[N\], x\[N\], y\[N\], z\[N\],
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vx\[N\], vy\[N\], vz\[N\], fx\[N\], fy\[N\], fz\[N\]
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atom vector = mass\[\], x\[\], y\[\], z\[\],
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@ -239,7 +242,9 @@ Number: 0.2, 100, 1.0e20, -15.4, etc
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Thermo keywords: vol, pe, ebond, etc
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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)
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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), gyration(ID)
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vcm(ID,dim), fcm(ID,dim), bound(ID,dir), gyration(ID), ke(ID)
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Region functions: count(ID,IDR), mass(ID,IDR), charge(ID,IDR), xcm(ID,dim,IDR), \
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vcm(ID,dim,IDR), fcm(ID,dim,IDR), bound(ID,dir,IDR), gyration(ID,IDR), ke(ID,IDR)
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Atom values: mass\[N\], x\[N\], y\[N\], z\[N\], \
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vx\[N\], vy\[N\], vz\[N\], fx\[N\], fy\[N\], fz\[N\]
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Atom vectors: mass\[\], x\[\], y\[\], z\[\], \
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@ -297,6 +302,12 @@ coordinate for all atoms in the group. Gyration() computes the
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radius-of-gyration of the group of atoms. See the "fix
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gyration"_fix_gyration.html command for a definition of the formula.
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Region functions are exactly the same as group functions with an
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extra argument which is the region ID. The function is computed
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for all atoms that are in both the group and the region. If the
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group is "all", then the only criteria for atom inclusion is
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that it be in the region.
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Atom values take a single integer argument from 1-N, which is the
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desired atom-ID, e.g. x\[243\]., which means use the x coordinate of
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the atom with ID=243.
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