P(r) function calculator
This Javascript calculates the distance-distribution function of models consisting of up to 12 spheres with different x/y/z coordinates and optionally different radii and different electron densities using the Debye-formula in real space. Enter the number of spheres, their coordinates x(i), y(i), z(i), their radii r(i) and their electron-densities c(i). The spheres can also overlap (totally or partially) where the resulting electron density of the overlapping region is the sum of the overlapping electron densities. For N points the p(r) function from r = 0 to rz with a scaling factor f (optionally also the gamma (r)-function) will be calculated. The values are listed in r vs p(r) or vs gamma(r) in arbitrary units and can be copied and pasted from the window into any text-file for further processing and graphical displaying.
Input
p(r)
action
rz
n
f
x(1)
y(1)
z(1)
r(1)
c(1)
x(2)
y(2)
z(2)
r(2)
c(2)
x(3)
y(3)
z(3)
r(3)
c(3)
x(4)
y(4)
z(4)
r(4)
c(4)
x(5)
y(5)
z(5)
r(5)
c(5)
x(6)
y(6)
z(6)
r(6)
c(6)
x(7)
y(7)
z(7)
r(7)
c(7)
x(8)
y(8)
z(8)
r(8)
c(8)
x(9)
y(9)
z(9)
r(9)
c(9)
x(10)
y(10)
z(10)
r(10)
c(10)
x(11)
y(11)
z(11)
r(11)
c(11)
x(12)
y(12)
z(12)
r(12)
c(12)
spheres
12
11
10
9
8
7
6
5
4
3
2
1
p(r)
g(r)
R
_{g}
p(r)-plot
Author:
M.Kriechbaum
, TU-Graz (2020), e-mail:
manfred.kriechbaum@tugraz.at