ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8209 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2012-06-01 21:34:49 +00:00
parent 4990f2e53d
commit cb7dd67f25
2 changed files with 38 additions and 0 deletions
Download Patch File Download Diff File Expand all files Collapse all files

19
doc/fix_move.html
View File

@ -94,6 +94,14 @@ then the position and velocity of that component is time integrated
the same as the <A HREF = "fix_nve.html">fix nve</A> command would perform, using
the corresponding force component on the atom.
</P>
<P>Note that the <I>linear</I> style is identical to using the <I>variable</I>
style with an <A HREF = "variable.html">equal-style variable</A> that uses the
vdisplace() function. E.g.
</P>
<PRE>variable V equal 10.0
variable x equal vdisplace(0.0,$V)
fix 1 boundary move variable v_x NULL NULL v_V NULL NULL
</PRE>
<P>The <I>wiggle</I> style moves atoms in an oscillatory fashion, so that
their position <I>X</I> = (x,y,z) as a function of time is given in vector
notation as
@ -110,6 +118,17 @@ position and velocity of that component is time integrated the same as
the <A HREF = "fix_nve.html">fix nve</A> command would perform, using the
corresponding force component on the atom.
</P>
<P>Note that the <I>wiggle</I> style is identical to using the <I>variable</I>
style with <A HREF = "variable.html">equal-style variables</A> that use the
swiggle() and cwiggle() functions. E.g.
</P>
<PRE>variable A equal 10.0
variable T equal 5.0
variable omega equal 2.0*PI/$T
variable x equal swiggle(0.0,$A,$T)
variable v equal v_omega*($A-cwiggle(0.0,$A,$T))
fix 1 boundary move variable v_x NULL NULL v_v NULL NULL
</PRE>
<P>The <I>rotate</I> style rotates atoms around a rotation axis <I>R</I> =
(Rx,Ry,Rz) that goes thru a point <I>P</I> = (Px,Py,Pz). The <I>period</I> of
the rotation is also specified. This style also sets the velocity of

19
doc/fix_move.txt
View File

@ -85,6 +85,14 @@ then the position and velocity of that component is time integrated
the same as the "fix nve"_fix_nve.html command would perform, using
the corresponding force component on the atom.
Note that the {linear} style is identical to using the {variable}
style with an "equal-style variable"_variable.html that uses the
vdisplace() function. E.g.
variable V equal 10.0
variable x equal vdisplace(0.0,$V)
fix 1 boundary move variable v_x NULL NULL v_V NULL NULL :pre
The {wiggle} style moves atoms in an oscillatory fashion, so that
their position {X} = (x,y,z) as a function of time is given in vector
notation as
@ -101,6 +109,17 @@ position and velocity of that component is time integrated the same as
the "fix nve"_fix_nve.html command would perform, using the
corresponding force component on the atom.
Note that the {wiggle} style is identical to using the {variable}
style with "equal-style variables"_variable.html that use the
swiggle() and cwiggle() functions. E.g.
variable A equal 10.0
variable T equal 5.0
variable omega equal 2.0*PI/$T
variable x equal swiggle(0.0,$A,$T)
variable v equal v_omega*($A-cwiggle(0.0,$A,$T))
fix 1 boundary move variable v_x NULL NULL v_v NULL NULL :pre
The {rotate} style rotates atoms around a rotation axis {R} =
(Rx,Ry,Rz) that goes thru a point {P} = (Px,Py,Pz). The {period} of
the rotation is also specified. This style also sets the velocity of