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  • Constraining densities and potentials

Constraining densities and potentials · Changes

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Update Constraining densities and potentials authored Dec 28, 2023 by Gabriel Wlazłowski's avatar Gabriel Wlazłowski
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Constraining-densities-and-potentials.md
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......@@ -141,4 +141,15 @@ In the figure below, the requested density is plotted by red, while with the blu
![image](uploads/89ebc8d36f87f9f2000f0a17e0701c73/image.png)
The resulting external potential has a form as presented in the figure below:
![image](uploads/dd648890418d2b9c87db7a2c7a697c17/image.png)
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![image](uploads/dd648890418d2b9c87db7a2c7a697c17/image.png)
Inspect the attached files to learn about the example implementation of the protocol. The most important functions used in the implementation are
* `get_extra_data_size(...)`: prepares buffers for the external potential and the desired shape of the density.
* `load_extra_data(...)`: initializes the guess for the external potential and shape of the density.
* `modify_potentials(...)`: implements the external potential update protocol.
* `v_ext(...)`: returns the value of the external potential in the given iteration.
Files:
* [rhoconstr_predefines.h](uploads/3cae3728213c638f7b0b4552eeb9bf34/rhoconstr_predefines.h)
* [rhoconstr_problem-definition.h](uploads/b2f502d4a9671e77f7d185faf8ef091a/rhoconstr_problem-definition.h)
* [input.txt](uploads/affba6750187c6f3ad9b030fa45b4868/input.txt)
* [rhoconstr.stdout](uploads/abbda91110740174be84097ef4bc3c5c/rhoconstr.stdout)
\ No newline at end of file
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