confinement : list in the following form; for spherical confinement, (define confinement '( 10.0 ;; LJ parameter epsilon in kT (so this is dimensionless value) 1.0 ;; LJ parameter r0 in "length" (so this is dimensionless value) "sphere" 10.0 ;; radius of the cavity at (0, 0, 0) )) or spherical confinement with a hole, (define confinement '( 10.0 ;; LJ parameter epsilon in kT (so this is dimensionless value) 1.0 ;; LJ parameter r0 in "length" (so this is dimensionless value) "sphere+hole" 10.0 ;; radius of the cavity at (0, 0, 0) 1.0 ;; radius of the hole at (0, 0, 1) direction )) for cylindrical confinement, (define confinement '( 10.0 ;; LJ parameter epsilon in kT (so this is dimensionless value) 1.0 ;; LJ parameter r0 in "length" (so this is dimensionless value) "cylinder" ;; the cylinder center goes through (0,0,0) and (x,y,z) 10.0 ;; radius of the cylinder 1.0 0.0 0.0 ;; direction vector (x, y, z) of the cylinder )) for dumbbell confinement, (define confinement '( 10.0 ;; LJ parameter epsilon in kT (so this is dimensionless value) 1.0 ;; LJ parameter r0 in "length" (so this is dimensionless value) "dumbbell" ;; the origin is at the center of the cylinder 10.0 ;; left cavity radius centered at (center1, 0, 0) 10.0 ;; right cavity radius centered at (center2, 0, 0) 2.0 ;; length of the cylinder 1.0 ;; cylinder radius )) for 2D hexagonal confinement with cylinder pipe, (define confinement '( 10.0 ;; LJ parameter epsilon in kT (so this is dimensionless value) 1.0 ;; LJ parameter r0 in "length" (so this is dimensionless value) "hex2d" 10.0 ;; cavity radius 1.0 ;; cylinder radius 12.0 ;; lattice spacing )) for porous media (outside of the 3D hexagonal particle array) (define confinement '( 10.0 ;; LJ parameter epsilon in kT (so this is dimensionless value) 1.0 ;; LJ parameter r0 in "length" (so this is dimensionless value) "porous" 10.0 ;; particle radius 20.0 ;; lattice spacing in x (2R for touching case) ))