dbcsr_make_index_canonical Subroutine

public subroutine dbcsr_make_index_canonical(matrix, cp2k)

Makes a canonical index to the distribution.

Canonical means that it respects the distribution.

Arguments

TypeIntentOptionalAttributesName
type(dbcsr_type), intent(inout) :: matrix

matrix for which to make canonical index

logical, intent(in), optional :: cp2k

make CP2K triangular index from canonical; default is false


Contents


Source Code

   SUBROUTINE dbcsr_make_index_canonical(matrix, cp2k)
      !! Makes a canonical index to the distribution.
      !!
      !! Canonical means that it respects the distribution.

      TYPE(dbcsr_type), INTENT(INOUT)                    :: matrix
         !! matrix for which to make canonical index
      LOGICAL, INTENT(IN), OPTIONAL                      :: cp2k
         !! make CP2K triangular index from canonical; default is false

      INTEGER                                            :: nb, nc, nr
      INTEGER, ALLOCATABLE, DIMENSION(:)                 :: new_blk_p, new_col_i, new_row_p
      LOGICAL                                            :: rev

!   ---------------------------------------------------------------------------

      rev = .FALSE.
      IF (PRESENT(cp2k)) rev = cp2k
      nr = SIZE(matrix%row_p)
      ALLOCATE (new_row_p(nr))
      nc = SIZE(matrix%col_i)
      ALLOCATE (new_col_i(nc))
      nb = SIZE(matrix%blk_p)
      ALLOCATE (new_blk_p(nb))
      IF (rev) THEN
         CALL make_index_triangular(new_row_p, new_col_i, new_blk_p, &
                                    matrix%row_p, matrix%col_i, matrix%blk_p, matrix)
      ELSE
         CALL make_index_canonical(new_row_p, new_col_i, new_blk_p, &
                                   matrix%row_p, matrix%col_i, matrix%blk_p, matrix)
      END IF
      matrix%row_p(:) = new_row_p
      matrix%col_i(:) = new_col_i
      matrix%blk_p(:) = new_blk_p
   END SUBROUTINE dbcsr_make_index_canonical