From cb7dd67f2560fe9b104e72f97fc30ae706dd4271 Mon Sep 17 00:00:00 2001
From: sjplimp
Note that the linear style is identical to using the variable +style with an equal-style variable that uses the +vdisplace() function. E.g. +
+variable V equal 10.0 +variable x equal vdisplace(0.0,$V) +fix 1 boundary move variable v_x NULL NULL v_V NULL NULL +
The wiggle style moves atoms in an oscillatory fashion, so that their position X = (x,y,z) as a function of time is given in vector notation as @@ -110,6 +118,17 @@ position and velocity of that component is time integrated the same as the fix nve command would perform, using the corresponding force component on the atom.
+Note that the wiggle style is identical to using the variable +style with equal-style variables that use the +swiggle() and cwiggle() functions. E.g. +
+variable A equal 10.0 +variable T equal 5.0 +variable omega equal 2.0*PI/$T +variable x equal swiggle(0.0,$A,$T) +variable v equal v_omega*($A-cwiggle(0.0,$A,$T)) +fix 1 boundary move variable v_x NULL NULL v_v NULL NULL +
The rotate style rotates atoms around a rotation axis R = (Rx,Ry,Rz) that goes thru a point P = (Px,Py,Pz). The period of the rotation is also specified. This style also sets the velocity of diff --git a/doc/fix_move.txt b/doc/fix_move.txt index a07bd3307a..794be2a404 100644 --- a/doc/fix_move.txt +++ b/doc/fix_move.txt @@ -85,6 +85,14 @@ then the position and velocity of that component is time integrated the same as the "fix nve"_fix_nve.html command would perform, using the corresponding force component on the atom. +Note that the {linear} style is identical to using the {variable} +style with an "equal-style variable"_variable.html that uses the +vdisplace() function. E.g. + +variable V equal 10.0 +variable x equal vdisplace(0.0,$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