Unverified Commit ad83f0e2 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
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update docs to add morse in a similar style to fix wall/region

parent aac557a9
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+19 −9
Original line number Diff line number Diff line
@@ -22,18 +22,30 @@ ID, group-ID are documented in "fix"_fix.html command :ulb,l
style = {wall/lj93} or {wall/lj126} or {wall/lj1043} or {wall/colloid} or {wall/harmonic} or {wall/morse} :l
one or more face/arg pairs may be appended :l
face = {xlo} or {xhi} or {ylo} or {yhi} or {zlo} or {zhi} :l
  args = coord epsilon \[alpha\] sigma cutoff
  args for styles {lj93} or {lj126} or {lj1043} or {colloid} or {harmonic} :l
    args = coord epsilon sigma cutoff
    coord = position of wall = EDGE or constant or variable
      EDGE = current lo or hi edge of simulation box
      constant = number like 0.0 or -30.0 (distance units)
      variable = "equal-style variable"_variable.html like v_x or v_wiggle
    epsilon = strength factor for wall-particle interaction (energy or energy/distance^2 units)
      epsilon can be a variable (see below)
    alpha = width factor for wall-particle interaction (1/distance units)
      [only] for {wall/morse}. alpha can be a variable (see below)
    sigma = size factor for wall-particle interaction (distance units)
      sigma can be a variable (see below)
    cutoff = distance from wall at which wall-particle interaction is cut off (distance units) :pre
  args for style {morse} :l
    args = coord D_0 alpha r_0 cutoff
    coord = position of wall = EDGE or constant or variable
      EDGE = current lo or hi edge of simulation box
      constant = number like 0.0 or -30.0 (distance units)
      variable = "equal-style variable"_variable.html like v_x or v_wiggle
    D_0 = depth of the potential (energy units)
      D_0 can be a variable (see below)
    alpha = width factor for wall-particle interaction (1/distance units)
      alpha can be a variable (see below)
    r_0 = distance of the potential minimum from the face of region (distance units)
      r_0 can be a variable (see below)
    cutoff = distance from wall at which wall-particle interaction is cut off (distance units) :pre
zero or more keyword/value pairs may be appended :l
keyword = {units} or {fld} :l
  {units} value = {lattice} or {box}
@@ -155,12 +167,10 @@ constant K, and has units (energy/distance^2). The input parameter
spring is at the {cutoff}.  This is a repulsive-only spring since the
interaction is truncated at the {cutoff}

For the {wall/morse} style, one additional parameter {alpha} is required.
Thus the parameters are in this order: {epsilon} as the depth of the
Morse potential (D_0), {alpha} as the width parameter of the Morse
potential, and {sigma} the location of the minimum (r_0)
the wall.  {D_0} has energy units, {alpha} inverse distance units, and
{r_0} distance units.
For the {wall/morse} style, the three parameters are in this order:
{D_0} the depth of the potential, {alpha} the width parameter, and
{r_0} the location of the minimum.  {D_0} has energy units, {alpha}
inverse distance units, and {r_0} distance units.

For any wall, the {epsilon} and/or {sigma} and/or {alpha} parameter can
be specified