ParM
parm
A molecular dynamics library
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A spheocylinder box, also known as a capsule. More...
#include <box.hpp>
Public Member Functions | |
SCBox (flt L, flt R) | |
Vec | diff (Vec r1, Vec r2) |
Distance between two points, given boundary conditions. More... | |
flt | V () |
Volume. Can return NaN. More... | |
Vec | dist (Vec r1) |
Vec | edge_dist (Vec r1) |
bool | inside (Vec r1, flt buffer=0.0) |
Vec | rand_loc (flt min_dist_to_wall=0.0) |
flt | length () |
flt | radius () |
Public Member Functions inherited from Box | |
virtual | ~Box () |
Protected Attributes | |
flt | L |
flt | R |
A spheocylinder box, also known as a capsule.
Note that this does not keep particles inside the box; use an Interaction like SCBoxed for that.
This class is useful for functions like V(), dist, edge_dist, inside, rand_loc, etc.
The spherocylinder has an axis along the x-axis, centered at origin
L is length of the central axis of the cylinder from 1 sphere center to the other, so L=0 is a sphere.
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