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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5530 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-01-11 19:27:27 +00:00
parent 56f9e680c6
commit fe81632989
4 changed files with 42 additions and 19 deletions
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12
doc/set.html
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@ -21,7 +21,7 @@
<LI>one or more keyword/value pairs may be appended
<LI>keyword = <I>type</I> or <I>type/fraction</I> or <I>mol</I> or <I>x</I> or <I>y</I> or <I>z</I> or <I>vx</I> or <I>vy</I> or <I>vz</I> or <I>charge</I> or <I>dipole</I> or <I>dipole/random</I> or <I>quat/random</I> or <I>diameter</I> or <I>density</I> or <I>volume</I> or <I>image</I> or
<LI>keyword = <I>type</I> or <I>type/fraction</I> or <I>mol</I> or <I>x</I> or <I>y</I> or <I>z</I> or <I>charge</I> or <I>dipole</I> or <I>dipole/random</I> or <I>quat/random</I> or <I>diameter</I> or <I>density</I> or <I>volume</I> or <I>image</I> or
<I>bond</I> or <I>angle</I> or <I>dihedral</I> or <I>improper</I>
<PRE> <I>type</I> value = atom type
@ -31,7 +31,6 @@
seed = random # seed (positive integer)
<I>mol</I> value = molecule ID
<I>x</I>,<I>y</I>,<I>z</I> value = atom coordinate (distance units)
<I>vx</I>,<I>vy</I>,<I>vz</I> value = velocity component (velocity units)
<I>charge</I> value = atomic charge (charge units)
<I>dipole</I> values = x y z
x,y,z = orientation of dipole moment vector
@ -60,7 +59,7 @@
set group solvent type/fraction 2 0.5 12393
set group edge bond 4
set region half charge 0.5
set atom 100 x 0.5 vx 1.0
set atom 100 x 0.5 y 1.0
set atom 1492 type 3
</PRE>
<P><B>Description:</B>
@ -105,10 +104,9 @@ used.
style</A> being used must support the use of molecule
IDs.
</P>
<P>Keywords <I>x</I>, <I>y</I>, <I>z</I>, <I>vx</I>, <I>vy</I>, <I>vz</I>, and <I>charge</I> set the
coordinates, velocity, or charge of all selected atoms. For <I>charge</I>,
the <A HREF = "atom_style.html">atom style</A> being used must support the use of
atomic charge.
<P>Keywords <I>x</I>, <I>y</I>, <I>z</I>, and <I>charge</I> set the coordinates or charge of
all selected atoms. For <I>charge</I>, the <A HREF = "atom_style.html">atom style</A>
being used must support the use of atomic charge.
</P>
<P>Keyword <I>dipole</I> uses the specified x,y,z values as components of a
vector to set as the orientation of the dipole moment vectors of the