... | ... | @@ -141,4 +141,15 @@ In the figure below, the requested density is plotted by red, while with the blu |
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![image](uploads/89ebc8d36f87f9f2000f0a17e0701c73/image.png)
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The resulting external potential has a form as presented in the figure below:
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![image](uploads/dd648890418d2b9c87db7a2c7a697c17/image.png) |
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![image](uploads/dd648890418d2b9c87db7a2c7a697c17/image.png)
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Inspect the attached files to learn about the example implementation of the protocol. The most important functions used in the implementation are
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* `get_extra_data_size(...)`: prepares buffers for the external potential and the desired shape of the density.
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* `load_extra_data(...)`: initializes the guess for the external potential and shape of the density.
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* `modify_potentials(...)`: implements the external potential update protocol.
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* `v_ext(...)`: returns the value of the external potential in the given iteration.
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Files:
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* [rhoconstr_predefines.h](uploads/3cae3728213c638f7b0b4552eeb9bf34/rhoconstr_predefines.h)
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* [rhoconstr_problem-definition.h](uploads/b2f502d4a9671e77f7d185faf8ef091a/rhoconstr_problem-definition.h)
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* [input.txt](uploads/affba6750187c6f3ad9b030fa45b4868/input.txt)
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* [rhoconstr.stdout](uploads/abbda91110740174be84097ef4bc3c5c/rhoconstr.stdout) |
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