| ... | @@ -80,8 +80,8 @@ Function are called as follow: |
... | @@ -80,8 +80,8 @@ Function are called as follow: |
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while( not (convergence criteria) )
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while( not (convergence criteria) )
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{
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{
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...
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...
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... create hamiltoin matrix (potententials as input) ...
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... create a hamiltonian matrix (potentials as input) ...
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... diagonalize hamitonian ...
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... diagonalize the hamiltonian matrix ...
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... compute densities ...
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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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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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... compute potentials according to selected EDF ...
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| ... | | ... | |
