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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12674 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2014-10-30 17:41:18 +00:00
parent 664cf51d7b
commit dc1b979f4a
2 changed files with 30 additions and 4 deletions
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17
doc/create_atoms.html
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@ -44,6 +44,9 @@
<I>set</I> values = dim vname
dim = <I>x</I> or <I>y</I> or <I>z</I>
name = name of variable to set with x,y,z atom position
<I>rotate</I> values = Rx Ry Rz theta
Rx,Ry,Rz = rotation vector for single molecule
theta = rotation angle for single molecule (degrees)
<I>units</I> value = <I>lattice</I> or <I>box</I>
<I>lattice</I> = the geometry is defined in lattice units
<I>box</I> = the geometry is defined in simulation box units
@ -235,6 +238,16 @@ create_atoms 1 box var v set x xx set y yy
</PRE>
<CENTER><A HREF = "JPG/sinusoid.jpg"><IMG SRC = "JPG/sinusoid_small.jpg"></A>
</CENTER>
<P>The <I>rotate</I> keyword can be used with the <I>single</I> style, when adding
a single molecule to specify the orientation at which the molecule is
inserted. The axis of rotation is determined by the rotation vector
(Rx,Ry,Rz) that goes through the insertion point. The specified
<I>theta</I> determines the angle of rotation around that axis. Note that
the direction of rotation for the atoms around the rotation axis is
consistent with the right-hand rule: if your right-hand's thumb points
along <I>R</I>, then your fingers wrap around the axis in the direction of
rotation.
</P>
<P>The <I>units</I> keyword determines the meaning of the distance units used
to specify the coordinates of the one particle created by the <I>single</I>
style. A <I>box</I> value selects standard distance units as defined by
@ -307,7 +320,7 @@ command.
</P>
<P>The default for the <I>basis</I> keyword is that all created atoms are
assigned the argument <I>type</I> as their atom type (when single atoms are
being created). The other defaults are <I>remap</I> = no and <I>units</I> =
lattice.
being created). The other defaults are <I>remap</I> = no, <I>rotate</I> =
random, and <I>units</I> = lattice.
</P>
</HTML>

17
doc/create_atoms.txt
View File

@ -36,6 +36,9 @@ keyword = {mol} or {basis} or {remap} or {var} or {set} or {units} :l
{set} values = dim vname
dim = {x} or {y} or {z}
name = name of variable to set with x,y,z atom position
{rotate} values = Rx Ry Rz theta
Rx,Ry,Rz = rotation vector for single molecule
theta = rotation angle for single molecule (degrees)
{units} value = {lattice} or {box}
{lattice} = the geometry is defined in lattice units
{box} = the geometry is defined in simulation box units :pre
@ -226,6 +229,16 @@ create_atoms 1 box var v set x xx set y yy :pre
:c,image(JPG/sinusoid_small.jpg,JPG/sinusoid.jpg)
The {rotate} keyword can be used with the {single} style, when adding
a single molecule to specify the orientation at which the molecule is
inserted. The axis of rotation is determined by the rotation vector
(Rx,Ry,Rz) that goes through the insertion point. The specified
{theta} determines the angle of rotation around that axis. Note that
the direction of rotation for the atoms around the rotation axis is
consistent with the right-hand rule: if your right-hand's thumb points
along {R}, then your fingers wrap around the axis in the direction of
rotation.
The {units} keyword determines the meaning of the distance units used
to specify the coordinates of the one particle created by the {single}
style. A {box} value selects standard distance units as defined by
@ -298,5 +311,5 @@ command.
The default for the {basis} keyword is that all created atoms are
assigned the argument {type} as their atom type (when single atoms are
being created). The other defaults are {remap} = no and {units} =
lattice.
being created). The other defaults are {remap} = no, {rotate} =
random, and {units} = lattice.