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@ -15,28 +15,34 @@
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</P>
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<PRE>fix ID group-ID wall/lj126 style coord epsilon sigma cutoff keyword values ...
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</PRE>
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<UL><LI>ID, group-ID are documented in <A HREF = "fix.html">fix</A> command
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<LI>wall/lj126 = style name of this fix command
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<LI>style = <I>xlo</I> or <I>xhi</I> or <I>ylo</I> or <I>yhi</I> or <I>zlo</I> or <I>zhi</I>
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<LI>coord = position of wall
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<LI>epsilon = Lennard-Jones epsilon for wall-particle interaction
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<LI>sigma = Lennard-Jones sigma for wall-particle interaction
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<LI>cutoff = distance from wall at which wall-particle interaction is cut off
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</UL>
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<UL><LI>ID, group-ID are documented in <A HREF = "fix.html">fix</A> command
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<LI>wall/lj126 = style name of this fix command
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<LI>style = <I>xlo</I> or <I>xhi</I> or <I>ylo</I> or <I>yhi</I> or <I>zlo</I> or <I>zhi</I>
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<LI>coord = position of wall
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<LI>epsilon = Lennard-Jones epsilon for wall-particle interaction
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<LI>sigma = Lennard-Jones sigma for wall-particle interaction
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<LI>cutoff = distance from wall at which wall-particle interaction is cut off (distance units)
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<LI>one or more keyword/value pairs may be appended
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<LI>keyword = <I>vel</I>
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<I>vel</I> args = v
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v = velocity of wall (velocity units)
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<PRE> <I>vel</I> args = v
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v = velocity of wall in perpendicular direction (velocity units)
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</PRE>
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</UL>
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<P><B>Examples:</B>
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</P>
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<PRE>fix wallhi all wall/lj126 xhi 10.0 1.0 1.0 1.12
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<PRE>fix wallhi all wall/lj126 xhi 10.0 1.0 1.0 1.12
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fix leftwall all wall/lj126 zlo 0.0 1.0 1.0 0.858 vel 1.0
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</PRE>
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<P>fix leftwall all wall/lj126 zlo 0.0 1.0 1.0 0.858 vel 1.0
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</P>
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<P><B>Description:</B>
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</P>
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<P>Bound the simulation domain on one of its faces with a Lennard-Jones
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@ -54,11 +60,13 @@ provided by the <A HREF = "fix_wall_lj93.html">fix wall/lj93</A> command.
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<P>The wall potential is shifted so that the energy of a wall-particle
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interaction is 0.0 at the cutoff distance.
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</P>
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<P>If the <I>vel</I> keyword is specified, the position of wall will move during the
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simulation, based on its initial position (coord) and the specified
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velocity (vel). Note that if you do multiple runs, the initial position
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of the indenter (x,y,z) does not change, so it will continue to move
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at the specified velocity.
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<P>If the <I>vel</I> keyword is specified, the position of wall will move
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during the simulation, based on its initial position (coord) and the
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specified velocity (vel). <I>Xlo</I> or <I>xhi</I> walls move in the x
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direction with whatever sign you give the <I>v</I> argument. Ditto for <I>y</I>
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and <I>z</I> walls. Note that if you do multiple runs, the initial
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position of the wall does not change, so it will continue to move at
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the specified velocity.
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</P>
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<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
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</P>
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@ -12,23 +12,23 @@ fix wall/lj126 command :h3
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fix ID group-ID wall/lj126 style coord epsilon sigma cutoff keyword values ... :pre
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ID, group-ID are documented in "fix"_fix.html command
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wall/lj126 = style name of this fix command
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style = {xlo} or {xhi} or {ylo} or {yhi} or {zlo} or {zhi}
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coord = position of wall
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epsilon = Lennard-Jones epsilon for wall-particle interaction
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sigma = Lennard-Jones sigma for wall-particle interaction
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cutoff = distance from wall at which wall-particle interaction is cut off :ul
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ID, group-ID are documented in "fix"_fix.html command :ulb,l
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wall/lj126 = style name of this fix command :l
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style = {xlo} or {xhi} or {ylo} or {yhi} or {zlo} or {zhi} :l
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coord = position of wall :l
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epsilon = Lennard-Jones epsilon for wall-particle interaction :l
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sigma = Lennard-Jones sigma for wall-particle interaction :l
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cutoff = distance from wall at which wall-particle interaction is cut off (distance units) :l
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one or more keyword/value pairs may be appended :l
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keyword = {vel} :l
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{vel} args = v
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v = velocity of wall (velocity units)
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v = velocity of wall in perpendicular direction (velocity units) :pre
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:ule
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[Examples:]
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fix wallhi all wall/lj126 xhi 10.0 1.0 1.0 1.12 :pre
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fix leftwall all wall/lj126 zlo 0.0 1.0 1.0 0.858 vel 1.0
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fix wallhi all wall/lj126 xhi 10.0 1.0 1.0 1.12
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fix leftwall all wall/lj126 zlo 0.0 1.0 1.0 0.858 vel 1.0 :pre
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[Description:]
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@ -47,11 +47,13 @@ provided by the "fix wall/lj93"_fix_wall_lj93.html command.
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The wall potential is shifted so that the energy of a wall-particle
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interaction is 0.0 at the cutoff distance.
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If the {vel} keyword is specified, the position of wall will move during the
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simulation, based on its initial position (coord) and the specified
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velocity (vel). Note that if you do multiple runs, the initial position
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of the indenter (x,y,z) does not change, so it will continue to move
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at the specified velocity.
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If the {vel} keyword is specified, the position of wall will move
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during the simulation, based on its initial position (coord) and the
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specified velocity (vel). {Xlo} or {xhi} walls move in the x
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direction with whatever sign you give the {v} argument. Ditto for {y}
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and {z} walls. Note that if you do multiple runs, the initial
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position of the wall does not change, so it will continue to move at
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the specified velocity.
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[Restart, fix_modify, output, run start/stop, minimize info:]
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@ -92,4 +94,3 @@ wall/lj93"_fix_wall_lj93.html
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[Default:]
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The option defaults are vel = 0.
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@ -15,28 +15,34 @@
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</P>
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<PRE>fix ID group-ID wall/lj93 style coord epsilon sigma cutoff keyword values ...
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</PRE>
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<LI>ID, group-ID are documented in <A HREF = "fix.html">fix</A> command
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wall/lj93 = style name of this fix command
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style = <I>xlo</I> or <I>xhi</I> or <I>ylo</I> or <I>yhi</I> or <I>zlo</I> or <I>zhi</I>
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coord = position of wall
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epsilon = Lennard-Jones epsilon for wall-particle interaction
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sigma = Lennard-Jones sigma for wall-particle interaction
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cutoff = distance from wall at which wall-particle interaction is cut off
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<UL><LI>ID, group-ID are documented in <A HREF = "fix.html">fix</A> command
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<LI>wall/lj93 = style name of this fix command
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<LI>style = <I>xlo</I> or <I>xhi</I> or <I>ylo</I> or <I>yhi</I> or <I>zlo</I> or <I>zhi</I>
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<LI>coord = position of wall
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<LI>epsilon = Lennard-Jones epsilon for wall-particle interaction
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<LI>sigma = Lennard-Jones sigma for wall-particle interaction
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<LI>cutoff = distance from wall at which wall-particle interaction is cut off (distance units)
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<LI>one or more keyword/value pairs may be appended
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<LI>keyword = <I>vel</I>
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<I>vel</I> args = v
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v = velocity of wall (velocity units)
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<PRE> <I>vel</I> args = v
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v = velocity of wall in perpendicular direction (velocity units)
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</PRE>
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</UL>
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<P><B>Examples:</B>
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</P>
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<PRE>fix wallhi all wall/lj93 xhi 10.0 1.0 1.0 2.5
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<PRE>fix wallhi all wall/lj93 xhi 10.0 1.0 1.0 2.5
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fix leftwall all wall/lj93 zlo 0.0 1.0 1.0 0.858 vel 1.0
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</PRE>
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<P>fix leftwall all wall/lj93 zlo 0.0 1.0 1.0 0.858 vel 1.0
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</P>
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<P><B>Description:</B>
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</P>
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<P>Bound the simulation domain on one of its faces with a Lennard-Jones
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@ -55,11 +61,13 @@ wall/lj126</A> command.
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<P>The wall potential is shifted so that the energy of a wall-particle
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interaction is 0.0 at the cutoff distance.
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</P>
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<P>If the <I>vel</I> keyword is specified, the position of wall will move during the
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simulation, based on its initial position (coord) and the specified
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velocity (vel). Note that if you do multiple runs, the initial position
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of the indenter (x,y,z) does not change, so it will continue to move
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at the specified velocity.
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<P>If the <I>vel</I> keyword is specified, the position of wall will move
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during the simulation, based on its initial position (coord) and the
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specified velocity (vel). <I>Xlo</I> or <I>xhi</I> walls move in the x
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direction with whatever sign you give the <I>v</I> argument. Ditto for <I>y</I>
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and <I>z</I> walls. Note that if you do multiple runs, the initial
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position of the wall does not change, so it will continue to move at
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the specified velocity.
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</P>
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<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
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</P>
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|
@ -12,23 +12,23 @@ fix wall/lj93 command :h3
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fix ID group-ID wall/lj93 style coord epsilon sigma cutoff keyword values ... :pre
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ID, group-ID are documented in "fix"_fix.html command
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wall/lj93 = style name of this fix command
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style = {xlo} or {xhi} or {ylo} or {yhi} or {zlo} or {zhi}
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coord = position of wall
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epsilon = Lennard-Jones epsilon for wall-particle interaction
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sigma = Lennard-Jones sigma for wall-particle interaction
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cutoff = distance from wall at which wall-particle interaction is cut off :l
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ID, group-ID are documented in "fix"_fix.html command :ulb,l
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wall/lj93 = style name of this fix command :l
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style = {xlo} or {xhi} or {ylo} or {yhi} or {zlo} or {zhi} :l
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coord = position of wall :l
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epsilon = Lennard-Jones epsilon for wall-particle interaction :l
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sigma = Lennard-Jones sigma for wall-particle interaction :l
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cutoff = distance from wall at which wall-particle interaction is cut off (distance units) :l
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one or more keyword/value pairs may be appended :l
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keyword = {vel} :l
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{vel} args = v
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v = velocity of wall (velocity units)
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v = velocity of wall in perpendicular direction (velocity units) :pre
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:ule
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[Examples:]
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fix wallhi all wall/lj93 xhi 10.0 1.0 1.0 2.5 :pre
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fix leftwall all wall/lj93 zlo 0.0 1.0 1.0 0.858 vel 1.0
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fix wallhi all wall/lj93 xhi 10.0 1.0 1.0 2.5
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fix leftwall all wall/lj93 zlo 0.0 1.0 1.0 0.858 vel 1.0 :pre
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[Description:]
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|
@ -48,11 +48,13 @@ wall/lj126"_fix_wall_lj126.html command.
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The wall potential is shifted so that the energy of a wall-particle
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interaction is 0.0 at the cutoff distance.
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If the {vel} keyword is specified, the position of wall will move during the
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simulation, based on its initial position (coord) and the specified
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velocity (vel). Note that if you do multiple runs, the initial position
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of the indenter (x,y,z) does not change, so it will continue to move
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at the specified velocity.
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If the {vel} keyword is specified, the position of wall will move
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during the simulation, based on its initial position (coord) and the
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specified velocity (vel). {Xlo} or {xhi} walls move in the x
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direction with whatever sign you give the {v} argument. Ditto for {y}
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and {z} walls. Note that if you do multiple runs, the initial
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position of the wall does not change, so it will continue to move at
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the specified velocity.
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[Restart, fix_modify, output, run start/stop, minimize info:]
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@ -93,4 +95,3 @@ wall/lj126"_fix_wall_lj126.html
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[Default:]
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The option defaults are vel = 0.
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