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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@430 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2007-03-22 17:05:12 +00:00
parent d398422f28
commit 2f25e80bf2
8 changed files with 114 additions and 14 deletions
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12
doc/variable.html
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@ -29,8 +29,9 @@
thermo keywords = vol, ke, press, etc from <A HREF = "thermo_style.html">thermo_style</A>
math functions = add(x,y), sub(x,y), mult(x,y), div(x,y),
neg(x), pow(x,y), exp(x), ln(x), sqrt(x)
group functions = mass(group), charge(group), xcm(group,dim),
vcm(group,dim), bound(group,xmin), gyration(group)
group functions = mass(group), charge(group),
xcm(group,dim), vcm(group,dim), fcm(group,dim),
bound(group,xmin), gyration(group)
atom vectors for <I>equal</I> = mass[N], x[N], y[N], z[N],
vx[N], vy[N], vz[N],
fx[N], fy[N], fz[N]
@ -196,7 +197,7 @@ variables; the syntax of Atom vector references is different.
<TR><TD >Number</TD><TD > 0.2, 1.0e20, -15.4, etc</TD></TR>
<TR><TD >Thermo keywords</TD><TD > vol, pe, ebond, etc</TD></TR>
<TR><TD >Math functions</TD><TD > add(x,y), sub(x,y), mult(x,y), div(x,y), neg(x), pow(x,y), exp(x), ln(x), sqrt(x)</TD></TR>
<TR><TD >Group functions</TD><TD > mass(ID), charge(ID), xcm(ID,dim), vcm(ID,dim), bound(ID,dir), gyration(ID)</TD></TR>
<TR><TD >Group functions</TD><TD > mass(ID), charge(ID), xcm(ID,dim), vcm(ID,dim), fcm(ID,dim) bound(ID,dir), gyration(ID)</TD></TR>
<TR><TD >Atom vectors for <I>equal</I></TD><TD > mass[N], x[N], y[N], z[N], vx[N], vy[N], vz[N], fx[N], fy[N], fz[N]</TD></TR>
<TR><TD >Atom vectors for <I>atom</I></TD><TD > mass[], x[], y[], z[], vx[], vy[], vz[], fx[], fy[], fz[]</TD></TR>
<TR><TD >Compute references</TD><TD > c_ID[0], c_ID[N]</TD></TR>
@ -220,8 +221,9 @@ group-ID. The <I>dim</I> argument is <I>x</I> or <I>y</I> or <I>z</I>. The <I>
argument is <I>xmin</I>, <I>xmax</I>, <I>ymin</I>, <I>ymax</I>, <I>zmin</I>, or <I>zmax</I>. The
group functions mass() and charge() are the total mass and charge of
the group of atoms. Xcm() and vcm() return components of the position
and velocity of the center of mass of the group. Bound() returns the
min/max of a particular coordinate for all atoms in the group.
and velocity of the center of mass of the group. Fcm() returns a
component of the total force on the group of atoms. Bound() returns
the min/max of a particular coordinate for all atoms in the group.
Gyration() computes the radius-of-gyration of the group of atoms. See
the <A HREF = "fix_gyration.html">fix gyration</A> command for the formula.
</P>