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Atomic-orbital Based Ab-initio Computation at UStc
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Classes | Namespaces | Functions
psi_init.h File Reference
#include "source_hamilt/hamilt.h"
#include "source_psi/psi_initializer.h"
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Classes

class  psi::PSIInit< T, Device >
 

Namespaces

namespace  psi
 

Functions

void psi::allocate_psi (Psi< std::complex< double > > *&psi, const int &nks, const std::vector< int > &ngk, const int &nbands, const int &npwx)
 allocate the wavefunction