This function calculates the values for the adsorption isotherms. This is done by counting the number of molecules inside the reservoir and within the pore over the whole simulation.
By normalizing the summation by the number of frames, the resulting value is converted to a surface specific concentration inside the pore and volume specific concentration within the reservoir.
The resulting value pair is a point in the adsorption isotherm.
Link to hdf5, obj or yml file generated by the density sample routine
poreana.sample.Sample.init_density()
Area of the reservoir to remove from counting on both sides of the reservoir
True to normalize the number of atoms with the number of frames
Normalized number of molecules outside and insidem and value pair of a point on the adsorption isotherm \(\left[\frac{\text{mmol}}{\text{l}}\ ,\frac{\mu\text{mol}}{\text{m}^2}\right]\)