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README.org
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README.org
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#+TITLE: Diffusion module
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#+TITLE: BTCSDiffusion
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This is the according repository to the diffusion module we discussed earlier.
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With this readme I will document all my steps I've done and will do.
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#+BEGIN_CENTER
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A framework solving diffusion problems using BTCS approach.
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#+END_CENTER
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* Current State
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* About
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- 1D diffusion is possible by setting bc at left/right end +by hand+ by =setBoundaryCondition()= or use the
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default value (Neumann with gradient 0)
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- +Always set concentrations/diffusion coefficients by using std::vecto+
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- Set concentrations of ghost zones by defining them via a list tuples.
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+ index 0 points to the left ghost zone
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+ index 1 to the right ghost zone
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- simple datastructure, which is currently just a class called *BTCSDiffusion*
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This project aims to provide a library for solving diffusion problems using the
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backward Euler method (BTCS) implemented in C++.
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* ToDos
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The library is built on top of [[https://eigen.tuxfamily.org/index.php?title=Main_Page][Eigen]], providing easy access to data structures
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and the linear equation solver.
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- [X] keep sparse matrix in memory
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- [-] allow different boundary conditions at the ends and also inside the grid
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- [ ] implement 2D diffusion
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We designed the API to be as much flexible as possible. Nearly every built-in,
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framework or third-party data structure can be used to model a problem, as long
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a pointer to continious memory can be providided.
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Also we provide basic parallelization by using [[https://www.openmp.org/][OpenMP]], which can be easily
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turned on/off during generation of makefiles.
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At the current state, only 1D diffusion problems on a regular grid can be solved
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reliably. The 2D solution is already implemented, but still returns wrong
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values. This will be fixed in the future.
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* Getting started
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As this diffusion module is designed as a framework library and makefile
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generation is done by [[https://cmake.org/][CMake]], you're good to go to also use CMake as your build
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toolkit. If you decide to not use CMake, you need to manually link your
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application/library to BTCSDiffusion.
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1. Create project directory.
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#+BEGIN_SRC
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$ mkdir sample_project && cd sample_project
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#+END_SRC
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2. Clone this repository into path of choice project directory
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#+BEGIN_SRC
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$ git clone git@git.gfz-potsdam.de:mluebke/diffusion.git
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#+END_SRC
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3. Add the following line into =CMakeLists.txt= file:
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#+BEGIN_SRC
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add_subdirectory(path_to_diffusion_module EXCLUDE_FROM_ALL)
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#+END_SRC
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4. Write application/library using API of =BTCSDiffusion=.
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5. Link target application/library against =BTCSDiffusion=. Do this by adding
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into according =CMakeLists.txt= file:
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#+BEGIN_SRC
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target_link_libraries(your_libapp BTCSDiffusion)
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#+END_SRC
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6. Build your application/library with CMake.
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* Usage
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Setting up an enviroment to use the =BTCSDiffusion= module is divided into the
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following steps:
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1. Defining dimension of diffusion problem.
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2. Set grid sizes in according dimensions.
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3. Set the timestep to simulate.
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4. Defining boundary conditions.
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5. Run the simulation!
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This will run a simulation on the defined grid for one species. See the source
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code documentation of =BTCSDiffusion= and the examples in the =app/= directory
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for more information.
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* Roadmap
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- [X] 1D diffusion
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- [ ] 2D diffusion
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- [ ] 3D diffusion (?)
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- [ ] R-API
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- [ ] Python-API (?)
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- [ ] Testing
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* License
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TODO?
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