\(\renewcommand{\AA}{\text{Å}}\)
8.5.9. Manifolds (surfaces)¶
Overview:
This page is not about a LAMMPS input script command, but about manifolds, which are generalized surfaces, as defined and used by the MANIFOLD package, to track particle motion on the manifolds. See the src/MANIFOLD/README file for more details about the package and its commands.
Below is a list of currently supported manifolds by the MANIFOLD package, their parameters and a short description of them. The parameters listed here are in the same order as they should be passed to the relevant fixes.
manifold |
parameters |
equation |
description |
cylinder |
R |
x^2 + y^2 - R^2 = 0 |
Cylinder along z-axis, axis going through (0,0,0) |
cylinder_dent |
R l a |
x^2 + y^2 - r(z)^2 = 0, r(x) = R if | z | > l, r(z) = R - a*(1 + cos(z/l))/2 otherwise |
A cylinder with a dent around z = 0 |
dumbbell |
a A B c |
-( x^2 + y^2 ) + (a^2 - z^2/c^2) * ( 1 + (A*sin(B*z^2))^4) = 0 |
A dumbbell |
ellipsoid |
a b c |
(x/a)^2 + (y/b)^2 + (z/c)^2 = 0 |
An ellipsoid |
gaussian_bump |
A l rc1 rc2 |
if( x < rc1) -z + A * exp( -x^2 / (2 l^2) ); else if( x < rc2 ) -z + a + b*x + c*x^2 + d*x^3; else z |
A Gaussian bump at x = y = 0, smoothly tapered to a flat plane z = 0. |
plane |
a b c x0 y0 z0 |
a*(x-x0) + b*(y-y0) + c*(z-z0) = 0 |
A plane with normal (a,b,c) going through point (x0,y0,z0) |
plane_wiggle |
a w |
z - a*sin(w*x) = 0 |
A plane with a sinusoidal modulation on z along x. |
sphere |
R |
x^2 + y^2 + z^2 - R^2 = 0 |
A sphere of radius R |
supersphere |
R q |
| x |^q + | y |^q + | z |^q - R^q = 0 |
A supersphere of hyperradius R |
spine |
a, A, B, B2, c |
-(x^2 + y^2) + (a^2 - z^2/f(z)^2)*(1 + (A*sin(g(z)*z^2))^4), f(z) = c if z > 0, 1 otherwise; g(z) = B if z > 0, B2 otherwise |
An approximation to a dendritic spine |
spine_two |
a, A, B, B2, c |
-(x^2 + y^2) + (a^2 - z^2/f(z)^2)*(1 + (A*sin(g(z)*z^2))^2), f(z) = c if z > 0, 1 otherwise; g(z) = B if z > 0, B2 otherwise |
Another approximation to a dendritic spine |
thylakoid |
wB LB lB |
Various, see (Paquay) |
A model grana thylakoid consisting of two block-like compartments connected by a bridge of width wB, length LB and taper length lB |
torus |
R r |
(R - sqrt( x^2 + y^2 ) )^2 + z^2 - r^2 |
A torus with large radius R and small radius r, centered on (0,0,0) |
(Paquay) Paquay and Kusters, Biophys. J., 110, 6, (2016). preprint available at arXiv:1411.3019.