... | ... | @@ -79,18 +79,13 @@ Function are called as follow: |
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```c
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while( not (convergence criteria) )
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{
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...
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... create hamiltoin matrix (potententials as input) ...
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... diagonalize hamitonian ...
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... compute densities ...
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modify_densities(it, densall, dc_params, extra_data_size, extra_data) ;
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... compute potentials according to selected EDF ...
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modify_potentials(it, densall, potsall, dc_params, extra_data_size, extra_data) ;
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....
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}
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```
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