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elpa_eigenvectors(3) Library Functions Manual elpa_eigenvectors(3) NAME elpa_eigenvectors - computes all eigenvalues and (part of) the eigenvectors for a real symmetric or complex hermitian eigenproblem: A*Q = <lambda>*Q There are also variations of this routine that can accept not only host but also device pointers as input/output. Names of these routines explicitly contain the corresponding datatypes: elpa_eigenvectors_double, elpa_eigen- vectors_float, elpa_eigenvectors_double_complex, elpa_eigenvec- tors_float_complex. SYNOPSIS FORTRAN INTERFACE use elpa class(elpa_t), pointer :: elpa_handle call elpa_handle%eigenvectors (a, ev, q, error) With the definitions of the input and output variables: class(elpa_t) :: elpa_handle An instance of the ELPA object. datatype :: a The local part of matrix A for which the eigenvalues and (part of) eigenvectors should be computed. The dimensions of matrix a must be set BEFORE with the methods elpa_set(3) and elpa_setup(3). The datatype of the matrix can be one of "real(kind=c_double)", "real(kind=c_float)", "complex(kind=c_double)", or "com- plex(kind=c_float)". The global matrix has to be symmetric or her- mitian, this is not checked by the routine. datatype_real :: ev The global array where the eigenvalues <lambda> will be stored in ascending order. The datatype_real of ev can be either "real(kind=c_double)" or "real(kind=c_float)", depending of the datatype of the matrix. Note that complex hermitian matrices also have real eigenvalues. datatype :: q The storage space for the computed eigenvectors Q. The number of re- quested eigenvectors must be set BEFORE with the methods elpa_set(3) and elpa_setup(3). The datatype of the matrix can be one of "real(kind=c_double)", "real(kind=c_float)", "complex(kind=c_dou- ble)", or "complex(kind=c_float)". integer, optional :: error The return error code of the function. Should be "ELPA_OK". The er- ror code can be queried with the function elpa_strerr(3). C/C++ INTERFACE #include <elpa/elpa.h> elpa_t elpa_handle; void elpa_eigenvectors(elpa_t elpa_handle, datatype *a, datatype_real *ev, datatype *q, int *error); With the definitions of the input and output variables: elpa_t elpa_handle; The handle to the ELPA object datatype *a; The local part of matrix A for which the eigenvalues and (part of) eigenvectors should be computed. The dimensions of the matrix must be set BEFORE with the methods elpa_set(3) and elpa_setup(3). The datatype can be one of "double", "float", "double com- plex"/"std::complex<double>", "float complex"/"std::complex<float>" for C/C++. The global matrix has to be symmetric or hermitian, this is not checked by the routine. datatype_real *ev; The global array where the eigenvalues <lambda> will be stored in ascending order. The datatype_real can be either "double" or "float", depending of the datatype of the matrix. Note that the eigenvalues of complex hermitian matrices are also real. datatype *q; The storage space for the computed eigenvectors Q. The number of re- quested eigenvectors must be set BEFORE with the methods elpa_set(3) and elpa_setup(3). The datatype can be one of "double", "float", "double complex"/"std::complex<double>", "float complex"/"std::com- plex<float>" for C/C++. int *error; The error code of the function. Should be "ELPA_OK". The error codes can be queried with elpa_strerr(3) DESCRIPTION Computes the eigenvalues and (part of) the eigenvector spectrum of a real symmetric or complex hermitian matrix. The functions elpa_init(3), elpa_al- locate(3), elpa_set(3), and elpa_setup(3) must be called BEFORE elpa_eigen- vectors can be called. In particular, the number of eigenvectors to be com- puted, "nev", must be set with elpa_set(3). SEE ALSO elpa2_print_kernels(1) elpa_init(3) elpa_allocate(3) elpa_set(3) elpa_setup(3) elpa_strerr(3) elpa_eigenvalues(3) elpa_skew_eigenvalues(3) elpa_skew_eigenvectors(3) elpa_cholesky(3) elpa_invert_triangular(3) elpa_solve_tridiagonal(3) elpa_hermitian_multiply(3) elpa_uninit(3) elpa_deallocate(3) ELPA Thu Nov 28 2024 elpa_eigenvectors(3)
NAME | SYNOPSIS | DESCRIPTION | SEE ALSO
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