From c21e7ac92677fcc0debfed8d1a8fcb35ce718e10 Mon Sep 17 00:00:00 2001
From: sjplimp
fix ID group-ID wall/lj126 style coord epsilon sigma cutoff keyword values ...-
vel args = v + v = velocity of wall in perpendicular direction (velocity units) +
Examples:
-fix wallhi all wall/lj126 xhi 10.0 1.0 1.0 1.12 +fix wallhi all wall/lj126 xhi 10.0 1.0 1.0 1.12 +fix leftwall all wall/lj126 zlo 0.0 1.0 1.0 0.858 vel 1.0-fix leftwall all wall/lj126 zlo 0.0 1.0 1.0 0.858 vel 1.0 -
Description:
Bound the simulation domain on one of its faces with a Lennard-Jones @@ -54,11 +60,13 @@ provided by the fix wall/lj93 command.
The wall potential is shifted so that the energy of a wall-particle interaction is 0.0 at the cutoff distance.
-If the vel keyword is specified, the position of wall will move during the -simulation, based on its initial position (coord) and the specified -velocity (vel). Note that if you do multiple runs, the initial position -of the indenter (x,y,z) does not change, so it will continue to move -at the specified velocity. +
If the vel keyword is specified, the position of wall will move +during the simulation, based on its initial position (coord) and the +specified velocity (vel). Xlo or xhi walls move in the x +direction with whatever sign you give the v argument. Ditto for y +and z walls. Note that if you do multiple runs, the initial +position of the wall does not change, so it will continue to move at +the specified velocity.
Restart, fix_modify, output, run start/stop, minimize info:
diff --git a/doc/fix_wall_lj126.txt b/doc/fix_wall_lj126.txt index e77969b67f..13512b9acc 100644 --- a/doc/fix_wall_lj126.txt +++ b/doc/fix_wall_lj126.txt @@ -12,23 +12,23 @@ fix wall/lj126 command :h3 fix ID group-ID wall/lj126 style coord epsilon sigma cutoff keyword values ... :pre -ID, group-ID are documented in "fix"_fix.html command -wall/lj126 = style name of this fix command -style = {xlo} or {xhi} or {ylo} or {yhi} or {zlo} or {zhi} -coord = position of wall -epsilon = Lennard-Jones epsilon for wall-particle interaction -sigma = Lennard-Jones sigma for wall-particle interaction -cutoff = distance from wall at which wall-particle interaction is cut off :ul +ID, group-ID are documented in "fix"_fix.html command :ulb,l +wall/lj126 = style name of this fix command :l +style = {xlo} or {xhi} or {ylo} or {yhi} or {zlo} or {zhi} :l +coord = position of wall :l +epsilon = Lennard-Jones epsilon for wall-particle interaction :l +sigma = Lennard-Jones sigma for wall-particle interaction :l +cutoff = distance from wall at which wall-particle interaction is cut off (distance units) :l one or more keyword/value pairs may be appended :l keyword = {vel} :l {vel} args = v - v = velocity of wall (velocity units) + v = velocity of wall in perpendicular direction (velocity units) :pre :ule [Examples:] -fix wallhi all wall/lj126 xhi 10.0 1.0 1.0 1.12 :pre -fix leftwall all wall/lj126 zlo 0.0 1.0 1.0 0.858 vel 1.0 +fix wallhi all wall/lj126 xhi 10.0 1.0 1.0 1.12 +fix leftwall all wall/lj126 zlo 0.0 1.0 1.0 0.858 vel 1.0 :pre [Description:] @@ -47,11 +47,13 @@ provided by the "fix wall/lj93"_fix_wall_lj93.html command. The wall potential is shifted so that the energy of a wall-particle interaction is 0.0 at the cutoff distance. -If the {vel} keyword is specified, the position of wall will move during the -simulation, based on its initial position (coord) and the specified -velocity (vel). Note that if you do multiple runs, the initial position -of the indenter (x,y,z) does not change, so it will continue to move -at the specified velocity. +If the {vel} keyword is specified, the position of wall will move +during the simulation, based on its initial position (coord) and the +specified velocity (vel). {Xlo} or {xhi} walls move in the x +direction with whatever sign you give the {v} argument. Ditto for {y} +and {z} walls. Note that if you do multiple runs, the initial +position of the wall does not change, so it will continue to move at +the specified velocity. [Restart, fix_modify, output, run start/stop, minimize info:] @@ -92,4 +94,3 @@ wall/lj93"_fix_wall_lj93.html [Default:] The option defaults are vel = 0. - diff --git a/doc/fix_wall_lj93.html b/doc/fix_wall_lj93.html index 9b97f0ef69..242b1cd1f3 100644 --- a/doc/fix_wall_lj93.html +++ b/doc/fix_wall_lj93.html @@ -15,28 +15,34 @@fix ID group-ID wall/lj93 style coord epsilon sigma cutoff keyword values ...-
vel args = v + v = velocity of wall in perpendicular direction (velocity units) +
Examples:
-fix wallhi all wall/lj93 xhi 10.0 1.0 1.0 2.5 +fix wallhi all wall/lj93 xhi 10.0 1.0 1.0 2.5 +fix leftwall all wall/lj93 zlo 0.0 1.0 1.0 0.858 vel 1.0-fix leftwall all wall/lj93 zlo 0.0 1.0 1.0 0.858 vel 1.0 -
Description:
Bound the simulation domain on one of its faces with a Lennard-Jones @@ -55,11 +61,13 @@ wall/lj126 command.
The wall potential is shifted so that the energy of a wall-particle interaction is 0.0 at the cutoff distance.
-If the vel keyword is specified, the position of wall will move during the -simulation, based on its initial position (coord) and the specified -velocity (vel). Note that if you do multiple runs, the initial position -of the indenter (x,y,z) does not change, so it will continue to move -at the specified velocity. +
If the vel keyword is specified, the position of wall will move +during the simulation, based on its initial position (coord) and the +specified velocity (vel). Xlo or xhi walls move in the x +direction with whatever sign you give the v argument. Ditto for y +and z walls. Note that if you do multiple runs, the initial +position of the wall does not change, so it will continue to move at +the specified velocity.
Restart, fix_modify, output, run start/stop, minimize info:
diff --git a/doc/fix_wall_lj93.txt b/doc/fix_wall_lj93.txt index 3faecd30ba..10ee4eda26 100644 --- a/doc/fix_wall_lj93.txt +++ b/doc/fix_wall_lj93.txt @@ -12,23 +12,23 @@ fix wall/lj93 command :h3 fix ID group-ID wall/lj93 style coord epsilon sigma cutoff keyword values ... :pre -ID, group-ID are documented in "fix"_fix.html command -wall/lj93 = style name of this fix command -style = {xlo} or {xhi} or {ylo} or {yhi} or {zlo} or {zhi} -coord = position of wall -epsilon = Lennard-Jones epsilon for wall-particle interaction -sigma = Lennard-Jones sigma for wall-particle interaction -cutoff = distance from wall at which wall-particle interaction is cut off :l +ID, group-ID are documented in "fix"_fix.html command :ulb,l +wall/lj93 = style name of this fix command :l +style = {xlo} or {xhi} or {ylo} or {yhi} or {zlo} or {zhi} :l +coord = position of wall :l +epsilon = Lennard-Jones epsilon for wall-particle interaction :l +sigma = Lennard-Jones sigma for wall-particle interaction :l +cutoff = distance from wall at which wall-particle interaction is cut off (distance units) :l one or more keyword/value pairs may be appended :l keyword = {vel} :l {vel} args = v - v = velocity of wall (velocity units) + v = velocity of wall in perpendicular direction (velocity units) :pre :ule [Examples:] -fix wallhi all wall/lj93 xhi 10.0 1.0 1.0 2.5 :pre -fix leftwall all wall/lj93 zlo 0.0 1.0 1.0 0.858 vel 1.0 +fix wallhi all wall/lj93 xhi 10.0 1.0 1.0 2.5 +fix leftwall all wall/lj93 zlo 0.0 1.0 1.0 0.858 vel 1.0 :pre [Description:] @@ -48,11 +48,13 @@ wall/lj126"_fix_wall_lj126.html command. The wall potential is shifted so that the energy of a wall-particle interaction is 0.0 at the cutoff distance. -If the {vel} keyword is specified, the position of wall will move during the -simulation, based on its initial position (coord) and the specified -velocity (vel). Note that if you do multiple runs, the initial position -of the indenter (x,y,z) does not change, so it will continue to move -at the specified velocity. +If the {vel} keyword is specified, the position of wall will move +during the simulation, based on its initial position (coord) and the +specified velocity (vel). {Xlo} or {xhi} walls move in the x +direction with whatever sign you give the {v} argument. Ditto for {y} +and {z} walls. Note that if you do multiple runs, the initial +position of the wall does not change, so it will continue to move at +the specified velocity. [Restart, fix_modify, output, run start/stop, minimize info:] @@ -93,4 +95,3 @@ wall/lj126"_fix_wall_lj126.html [Default:] The option defaults are vel = 0. -