Documentation for module cp_dbcsr_diag

Interface to (sca)lapack for the Cholesky based procedures

source: cp_dbcsr_diag.F
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public Subroutines/Functions:

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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

SUBROUTINEcp_dbcsr_heevd(matrix, eigenvectors, eigenvalues, para_env, blacs_env)

...

Arguments:
:: matrix ...
TYPE(dbcsr_type),
OPTIONAL, POINTER
:: eigenvectors ...
REAL(dp),
INTENT(out)
:: eigenvalues(:) ...
POINTER
:: para_env ...
POINTER
:: blacs_env ...

SUBROUTINEcp_dbcsr_syevd(matrix, eigenvectors, eigenvalues, para_env, blacs_env)

...

Arguments:
:: matrix ...
:: eigenvectors ...
REAL(dp),
INTENT(out)
:: eigenvalues(:) ...
POINTER
:: para_env ...
POINTER
:: blacs_env ...

SUBROUTINEcp_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

Arguments:
TYPE(dbcsr_type),
POINTER
:: matrix ...
TYPE(dbcsr_type),
OPTIONAL, POINTER
:: eigenvectors ...
REAL(dp),
INTENT(out)
:: eigenvalues(:) ...
INTEGER,
INTENT(in),
OPTIONAL
:: neig ...
REAL(dp),
INTENT(in),
OPTIONAL
:: work_syevx ...
POINTER
:: para_env ...
POINTER
:: blacs_env ...