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Atomic-orbital Based Ab-initio Computation at UStc
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Classes | Functions
psi Namespace Reference

Classes

class  Psi
 
class  PSIInit
 
struct  Range
 

Functions

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

Function Documentation

◆ allocate_psi()

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

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