### man pages of generalized updated

parent b680e94d
 ... ... @@ -13,7 +13,7 @@ use elpa class(elpa_t), pointer :: elpa .br .RI "call elpa%\fBgeneralized_eigenvectors\fP (a, b, ev, q, sc_desc, is_already_decomopsed, error)" .RI "call elpa%\fBgeneralized_eigenvectors\fP (a, b, ev, q, is_already_decomopsed, error)" .br .RI " " .br ... ... @@ -27,12 +27,19 @@ class(elpa_t), pointer :: elpa The matrix a for which the eigenvalues should be computed. The dimensions of matrix a must be set \fIBEFORE\fP with the methods \fBelpa_set\fP(3) and \fBelpa_setup\fP(3). The datatype of the matrix can be one of "real(kind=c_double)", "real(kind=c_float)", "complex(kind=c_double)", or "complex(kind=c_float)" .TP .RI "datatype :: \fBb\fP" The matrix b defining the generalized eigenvalue problem. The dimensions and datatype fo the matrix has to be the same as for matrix a. The matrix b defining the generalized eigenvalue problem. The dimensions and datatype of the matrix b has to be the same as for matrix a. .TP .RI "datatype :: \fBev\fP" The vector ev where the eigenvalues will be stored in \fIascending\fP order. The datatype of the vector 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 valued eigenvalues. .TP .RI "datatype :: \fBq\fP" The storage space for the computed eigenvectors. The dimensions of matrix a must be set \fIBEFORE\fP with the methods \fBelpa_set\fP(3) and \fBelpa_setup\fP(3). The datatype of the matrix can be one of "real(kind=c_double)", "real(kind=c_float)", "complex(kind=c_double)", or "complex(kind=c_float)" .TP .RI "logical :: \fBis_already_decomposed\fP" Has to be set to .false. for the first call with a given b and .true. for each subsequent call with the same b, since b then already contains decomposition and thus the decomposing step is skipped. .TP .RI "integer, optional :: \fBerror\fP" The return error code of the function. Should be "ELPA_OK". The error code can be querried with the function \fBelpa_strerr\fP(3) ... ... @@ -64,12 +71,17 @@ The storage for the computed eigenvalues. Eigenvalues will be stored in \fIascen .RI "datatype *\fBq\fP;" The storage space for the computed eigenvectors. The dimensions of the matrix must be set \fIBEFORE\fP with the methods \fBelpa_set\fP(3) and \fBelpa_setup\fP(3). The \fBdatatype\fP can be one of "double", "float", "double complex", or "float complex". .TP .RI "int \fBis_already_decomposed\fP;" Has to be set to 0 for the first call with a given b and 1 for each subsequent call with the same b, since b then already contains decomposition and thus the decomposing step is skipped. .TP .RI "int *\fBerror\fP;" The error code of the function. Should be "ELPA_OK". The error codes can be querried with \fBelpa_strerr\fP(3) .SH DESCRIPTION Compute the eigenvalues and (parts of) the eigenvector spectrum of a real symmtric or complex hermitian matrix.The functions \fBelpa_init\fP(3), \fBelpa_allocate\fP(3), \fBelpa_set\fP(3), and \fBelpa_setup\fP(3) must be called \fIBEFORE\fP \fBelpa_eigenvalues\fP can be called. Especially the number of eigenvectors to be computed can be set with \fPelpa_set\fB(3) Compute the generalized eigenvalues and (parts of) the eigenvector spectrum of a real symmtric or complex hermitian matrix.The functions \fBelpa_init\fP(3), \fBelpa_allocate\fP(3), \fBelpa_set\fP(3), and \fBelpa_setup\fP(3) must be called \fIBEFORE\fP \fBelpa_generalized_eigenvalues\fP can be called. Especially the number of eigenvectors to be computed can be set with \fPelpa_set\fB(3). Unlike in the case of ordinary eigenvalue problem, the generalized problem calls some external scalapack routines. The user is responsible for initialization of the blacs context, which then has to be passed to elpa by \fPelpa_set\fB(3) \fIBEFORE\fP \fBelpa_generalized_eigenvalues\fP can be called. .br .SH "SEE ALSO" .br \fBelpa2_print_kernels\fP(1) \fBelpa_init\fP(3) \fBelpa_allocate\fP(3) \fBelpa_set\fP(3) \fBelpa_setup\fP(3) \fBelpa_strerr\fP(3) \fBelpa_eigenvalues\fP(3) \fBelpa_cholesky\fP(3) \fBelpa_invert_triangular\fP(3) \fBelpa_solve_tridiagonal\fP(3) \fBelpa_hermitian_multiply\fP(3) \fBelpa_uninit\fP(3) \fBelpa_deallocate\fP(3) \fBelpa2_print_kernels\fP(1) \fBelpa_init\fP(3) \fBelpa_allocate\fP(3) \fBelpa_set\fP(3) \fBelpa_setup\fP(3) \fBelpa_strerr\fP(3) \fBelpa_eigenvalues\fP(3) \fBelpa_eigenvectors\fP(3) \fBelpa_cholesky\fP(3) \fBelpa_invert_triangular\fP(3) \fBelpa_solve_tridiagonal\fP(3) \fBelpa_hermitian_multiply\fP(3) \fBelpa_uninit\fP(3) \fBelpa_deallocate\fP(3)
 ... ... @@ -92,6 +92,10 @@ integer parameter. The parent MPI communicator which includes all MPI process wh .TP .RI \fB"bandwidth"\fP: integer parameter. Some ELPA compute steps can be accelerated if the matrix is already in banded form. If set, ELPA assumes that the bandwidth of the matrix is the value set. .TP .RI \fB"blacs_context"\fP: integer parameter. The generalized eigenvalue solver \fBelpa_generalized_eigenvectors\fP(3) use internal calls to some of the scalapack routines. Thus before calling it, the user has to provide properly initialized blacs context. .TP .RI \fB"timings"\fP: Choose whether time measurements should be done in the ELPA routines. ... ...
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