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module | cp_dbcsr_diag |
| Interface to (sca)lapack for the Cholesky based procedures.
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subroutine, public | cp_dbcsr_diag::cp_dbcsr_syevd (matrix, eigenvectors, eigenvalues, para_env, blacs_env) |
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subroutine, public | cp_dbcsr_diag::cp_dbcsr_syevx (matrix, eigenvectors, eigenvalues, neig, work_syevx, para_env, blacs_env) |
| compute eigenvalues and optionally eigenvectors of a real symmetric matrix using scalapack. If eigenvectors are required this routine will replicate a full matrix on each CPU... if more than a handful of vectors are needed, use cp_dbcsr_syevd instead
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subroutine, public | cp_dbcsr_diag::cp_dbcsr_heevd (matrix_re, matrix_im, eigenvectors_re, eigenvectors_im, eigenvalues, para_env, blacs_env) |
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subroutine, public | cp_dbcsr_diag::cp_dbcsr_power (matrix, exponent, threshold, n_dependent, para_env, blacs_env, verbose, eigenvectors, eigenvalues) |
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