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Computes the ion density profile, and grand energy for a (possibly assymetric) electrolyte confined between two plates. Computation is at the level of Renormalized Gaussian Flucuation Theory with implicit solvent and hard-shell ions (hard shell equation of state is Carnahan Starling)

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PURPOSE:


This code is used to study the electric double layer at the level of Renormalized Gaussian Fluctuation Theory (RGFT).
The details of the theory can be found here:
ZG Wang, Phys. Rev. E 81, 021501 (2010)

In particular, this code computes the ion profile, pressure, self-energy, and electric potential of an
ionic solution confined between two oppositely-charged plates.
This code /does not/ solve the full RGFT equations; rather, it solves them under the WKB approximation 
as described here:
R. Wang and ZG Wang J. Chem. Phys. 139, 124702 (2013)

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DEPENDENCIES:

Please make sure that you have a c++ compiler, LAPACK, and BLAS installed.
I recommend using openblas, however if you wish to use netblas (or other)
you must modify the compilation command accordindly.

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INSTALLATION:

Compile with the command 

	g++ -I/usr/lib -llapack -lopenblas full_WKB.cpp PB_solver.cpp -o ./full_WKB

NOTE: /usr/lib is where lapack and blas are usually installed - please correct 
	this if your installation is different.

NOTE: I recommend using openblas, but linking to -lblas is also fine.


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USAGE:

At the moment, all physical parameters of the system are hardcoded in full_WKB.cpp.
To set the physical dimensions, charges, etc of your system please edit the structure sys and recompile.
Outputs are stored in the directory ./output


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Computes the ion density profile, and grand energy for a (possibly assymetric) electrolyte confined between two plates. Computation is at the level of Renormalized Gaussian Flucuation Theory with implicit solvent and hard-shell ions (hard shell equation of state is Carnahan Starling)

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