Documentation for module cp_fm

public Subroutines/Functions:

SUBROUTINE 
cp_fm_diag_elpa (matrix, eigenvectors, eigenvalues)
Driver routine to diagonalize a FM matrix with the ELPA library.

              FUNCTION 
              CHARACTER(default_string_length)

            
get_elpa_kernel_descriptions
Returns the description texts of the availabel ELPA kernels

              FUNCTION 
              CHARACTER(default_string_length)

            
get_elpa_kernel_names
Returns the names of the availabel ELPA kernels

              FUNCTION 
              INTEGER PURE

            
get_elpa_number_kernels
Return the number of available ELPA kernels
SUBROUTINE 
set_elpa_kernel (kernel)
Sets the active ELPA kernel.
SUBROUTINE 
set_elpa_print (flag)
Sets a flag that determines if additional information about the ELPA diagonalization should be printed
SUBROUTINE 
set_elpa_qr (use_qr, use_qr_unsafe)
Sets flags that determines if ELPA should try to use QR during diagonalization If use_qr = .TRUE., the QR step is performed only if the size of the input matrix is suitable. Check cp_fm_diag_elpa for further details.

SUBROUTINEcp_fm_diag_elpa(matrix, eigenvectors, eigenvalues)
^

Driver routine to diagonalize a FM matrix with the ELPA library.

Arguments:

TYPE(cp_fm_type),	POINTER	::	matrix	the matrix that is diagonalized
TYPE(cp_fm_type),	POINTER	::	eigenvectors	eigenvectors of the input matrix
REAL(dp)		::	eigenvalues(:)	eigenvalues of the input matrix

FUNCTIONget_elpa_kernel_descriptions()
^

Returns the description texts of the availabel ELPA kernels

Return Value :: CHARACTER(default_string_length)

FUNCTIONget_elpa_kernel_names()
^

Returns the names of the availabel ELPA kernels

Return Value :: CHARACTER(default_string_length)

PURE FUNCTIONget_elpa_number_kernels()
^

Return the number of available ELPA kernels

Return Value :: INTEGER

SUBROUTINEset_elpa_kernel(kernel)
^

Sets the active ELPA kernel.

Arguments:

          INTEGER,

          INTENT(in)

           :: 
          kernel
          Integer between 1 and get_elpa_number_kernels()

SUBROUTINEset_elpa_print(flag)
^

Sets a flag that determines if additional information about the ELPA diagonalization should be printed

Arguments:

          LOGICAL,

          INTENT(in)

           :: 
          flag
          the logical flag

SUBROUTINEset_elpa_qr(use_qr, use_qr_unsafe)
^

Sets flags that determines if ELPA should try to use QR during diagonalization If use_qr = .TRUE., the QR step is performed only if the size of the input matrix is suitable. Check cp_fm_diag_elpa for further details.

Arguments:

LOGICAL,	INTENT(in)		::	use_qr	the logical flag
LOGICAL,	INTENT(in)		::	use_qr_unsafe	logical which determines if block size checks should be bypassed for some ELPA versions, potentially leading to incorrect eigenvalues