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Atomic-orbital Based Ab-initio Computation at UStc
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Namespaces | |
namespace | hsolver |
Functions | |
template<typename T > | |
void | hsolver::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_, pssygvx_, pchegvx_. | |