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Atomic-orbital Based Ab-initio Computation at UStc
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diago_pxxxgvx.h
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1#ifndef HSOLVER_DIAGO_PXXXGVX_H
2#define HSOLVER_DIAGO_PXXXGVX_H
3#include <complex>
5
6namespace hsolver
7{
8
9#ifdef __MPI
24template <typename T>
25void pxxxgvx_diag(const int* const desc,
26 const int ncol,
27 const int nrow,
28 const int nbands,
29 const T* const h_mat,
30 const T* const s_mat,
31 typename GetTypeReal<T>::type* const ekb,
32 T* const wfc_2d);
33#endif
34
35} // namespace hsolver
36
37#endif // HSOLVER_DIAGO_PXXXGVX_H
#define T
Definition exp.cpp:237
Definition diag_comm_info.h:9
void pxxxgvx_diag(const int *const desc, const int ncol, const int nrow, const int nbands, const T *const h_mat, const T *const s_mat, typename GetTypeReal< T >::type *const ekb, T *const wfc_2d)
Wrapper function for Scalapack's generalized eigensolver routines: pdsygvx_, pzhegvx_,...
Definition diago_pxxxgvx.cpp:467
T type
Definition macros.h:8