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ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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#include <lapack.h>
Public Types | |
| using | Real = typename GetTypeReal< T >::type |
Public Member Functions | |
| void | operator() (const int n, const int lda, T *Mat_A, T *Mat_B, const int m, Real *eigen_val, T *eigen_vec) |
| using container::kernels::lapack_hegvx< T, Device >::Real = typename GetTypeReal<T>::type |
| void container::kernels::lapack_hegvx< T, Device >::operator() | ( | const int | n, |
| const int | lda, | ||
| T * | Mat_A, | ||
| T * | Mat_B, | ||
| const int | m, | ||
| Real * | eigen_val, | ||
| T * | eigen_vec | ||
| ) |
@ brief hegvx computes the first m eigenvalues and their corresponding eigenvectors of a complex generalized Hermitian-definite eigenproblem.
In this op, the CPU version is implemented through the hegvx interface, and the CUDA version is implemented through the evd interface and acquires the first m eigenpairs
hegvx 'V' 'I' 'U' is used to compute the first m eigenpairs of the problem
| n | The order of the matrices A and B. n >= 0. |
| lda | The leading dimension of the array A and B. lda >= max(1, n). |
| A | On entry, the Hermitian matrix A. On exit, if info = 0, A contains the matrix Z of eigenvectors. |
| B | On entry, the Hermitian positive definite matrix B. On exit, the triangular factor from the Cholesky factorization of B. |
| m | The number of eigenvalues and eigenvectors to be found. 0 < m <= n. |
| eigen_val | The first m eigenvalues in ascending order. |
| eigen_vec | The first m columns contain the orthonormal eigenvectors of the matrix A corresponding to the selected eigenvalues. |