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https://github.com/TREX-CoE/qmckl.git
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Simplifying Fortran
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@ -976,27 +976,37 @@ double* qmckl_alloc_double_of_tensor(const qmckl_context context,
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#+end_src
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#+begin_src f90 :tangle (eval f) :exports none
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integer function qmckl_dgemm_f(context, TransA, TransB, &
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function qmckl_dgemm(context, TransA, TransB, &
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m, n, k, alpha, A, LDA, B, LDB, beta, C, LDC) &
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result(info)
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use qmckl
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bind(C) result(info)
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use, intrinsic :: iso_c_binding
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use qmckl_constants
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#ifdef HAVE_LIBQMCKLDGEMM
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use qmckl_dgemm_tiled_module
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#endif
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implicit none
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integer(qmckl_context), intent(in) :: context
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character , intent(in) :: TransA, TransB
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integer*8 , intent(in) :: m, n, k
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double precision , intent(in) :: alpha, beta
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integer*8 , intent(in) :: lda
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double precision , intent(in) :: A(lda,*)
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integer*8 , intent(in) :: ldb
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double precision , intent(in) :: B(ldb,*)
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integer*8 , intent(in) :: ldc
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double precision , intent(out) :: C(ldc,*)
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integer (qmckl_context), intent(in) , value :: context
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character(c_char ) , intent(in) , value :: TransA
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character(c_char ) , intent(in) , value :: TransB
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integer (c_int64_t) , intent(in) , value :: m
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integer (c_int64_t) , intent(in) , value :: n
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integer (c_int64_t) , intent(in) , value :: k
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real (c_double ) , intent(in) , value :: alpha
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real (c_double ) , intent(in) :: A(lda,*)
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integer (c_int64_t) , intent(in) , value :: lda
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real (c_double ) , intent(in) :: B(ldb,*)
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integer (c_int64_t) , intent(in) , value :: ldb
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real (c_double ) , intent(in) , value :: beta
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real (c_double ) , intent(out) :: C(ldc,*)
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integer (c_int64_t) , intent(in) , value :: ldc
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integer(qmckl_exit_code) :: info
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#ifdef HAVE_LIBQMCKLDGEMM
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double precision,allocatable,dimension(:,:) :: A1
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double precision,allocatable,dimension(:,:) :: B1
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double precision,allocatable,dimension(:,:) :: C1
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#endif
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integer*8 :: i, j, LDA1, LDB1, LDC1
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info = QMCKL_SUCCESS
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@ -1040,25 +1050,25 @@ integer function qmckl_dgemm_f(context, TransA, TransB, &
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! Copy A to A1
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allocate(A1(k,m))
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do j=1,m
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do i=1,k
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A1(i,j) = A(j,i)
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end do
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do i=1,k
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A1(i,j) = A(j,i)
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end do
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end do
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! Copy B to B1
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allocate(B1(n,k))
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do j=1,k
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do i=1,n
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B1(i,j) = B(j,i)
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end do
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do i=1,n
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B1(i,j) = B(j,i)
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end do
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end do
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! Copy C to C1
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allocate(C1(n,m))
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do j=1,m
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do i=1,n
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C1(i,j) = C(j,i)
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end do
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do i=1,n
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C1(i,j) = C(j,i)
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end do
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end do
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LDA1 = size(A1,1)
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@ -1070,7 +1080,7 @@ integer function qmckl_dgemm_f(context, TransA, TransB, &
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do j=1,n
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do i=1,m
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transpose C(i,j) = alpha*C1(j,i) + beta*C(i,j)
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transpose C(i,j) = alpha*C1(j,i) + beta*C(i,j)
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end do
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end do
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@ -1081,60 +1091,26 @@ transpose C(i,j) = alpha*C1(j,i) + beta*C(i,j)
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#endif
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end function qmckl_dgemm_f
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end function qmckl_dgemm
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#+end_src
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*** C interface :noexport:
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#+CALL: generate_c_interface(table=qmckl_dgemm_args,rettyp="qmckl_exit_code",fname="qmckl_dgemm")
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#+RESULTS:
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#+begin_src f90 :tangle (eval f) :comments org :exports none
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integer(c_int32_t) function qmckl_dgemm &
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(context, TransA, TransB, m, n, k, alpha, A, lda, B, ldb, beta, C, ldc) &
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bind(C) result(info)
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use, intrinsic :: iso_c_binding
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implicit none
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integer (c_int64_t) , intent(in) , value :: context
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character(c_char) , intent(in) , value :: TransA
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character(c_char) , intent(in) , value :: TransB
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integer (c_int64_t) , intent(in) , value :: m
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integer (c_int64_t) , intent(in) , value :: n
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integer (c_int64_t) , intent(in) , value :: k
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real (c_double ) , intent(in) , value :: alpha
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real (c_double ) , intent(in) :: A(lda,*)
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integer (c_int64_t) , intent(in) , value :: lda
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real (c_double ) , intent(in) :: B(ldb,*)
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integer (c_int64_t) , intent(in) , value :: ldb
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real (c_double ) , intent(in) , value :: beta
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real (c_double ) , intent(out) :: C(ldc,*)
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integer (c_int64_t) , intent(in) , value :: ldc
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integer(c_int32_t), external :: qmckl_dgemm_f
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info = qmckl_dgemm_f &
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(context, TransA, TransB, m, n, k, alpha, A, lda, B, ldb, beta, C, ldc)
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end function qmckl_dgemm
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#+end_src
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#+CALL: generate_f_interface(table=qmckl_dgemm_args,rettyp="qmckl_exit_code",fname="qmckl_dgemm")
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#+RESULTS:
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#+begin_src f90 :tangle (eval fh_func) :comments org :exports none
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interface
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integer(c_int32_t) function qmckl_dgemm &
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integer(qmckl_exit_code) function qmckl_dgemm &
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(context, TransA, TransB, m, n, k, alpha, A, lda, B, ldb, beta, C, ldc) &
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bind(C)
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use, intrinsic :: iso_c_binding
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import
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implicit none
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integer (c_int64_t) , intent(in) , value :: context
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character(c_char) , intent(in) , value :: TransA
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character(c_char) , intent(in) , value :: TransB
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integer (qmckl_context), intent(in) , value :: context
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character(c_char ) , intent(in) , value :: TransA
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character(c_char ) , intent(in) , value :: TransB
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integer (c_int64_t) , intent(in) , value :: m
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integer (c_int64_t) , intent(in) , value :: n
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integer (c_int64_t) , intent(in) , value :: k
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@ -1295,25 +1271,31 @@ printf("qmckl_dgemm ok\n");
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#+END_src
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#+begin_src f90 :tangle (eval f) :exports none
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integer function qmckl_dgemm_safe_f(context, TransA, TransB, &
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function qmckl_dgemm_safe(context, TransA, TransB, &
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m, n, k, alpha, A, size_A, LDA, B, size_B, LDB, beta, C, size_C, LDC) &
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result(info)
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use qmckl
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result(info) bind(C)
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use, intrinsic :: iso_c_binding
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use qmckl_constants
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implicit none
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integer(qmckl_context), intent(in) :: context
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character , intent(in) :: TransA, TransB
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integer*8 , intent(in) :: m, n, k
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double precision , intent(in) :: alpha, beta
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integer*8 , intent(in) :: lda
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integer*8 , intent(in) :: size_A
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double precision , intent(in) :: A(lda,*)
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integer*8 , intent(in) :: ldb
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integer*8 , intent(in) :: size_B
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double precision , intent(in) :: B(ldb,*)
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integer*8 , intent(in) :: ldc
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integer*8 , intent(in) :: size_C
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double precision , intent(out) :: C(ldc,*)
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integer (qmckl_context), intent(in) , value :: context
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character(c_char ) , intent(in) , value :: TransA
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character(c_char ) , intent(in) , value :: TransB
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integer (c_int64_t) , intent(in) , value :: m
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integer (c_int64_t) , intent(in) , value :: n
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integer (c_int64_t) , intent(in) , value :: k
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real (c_double ) , intent(in) , value :: alpha
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real (c_double ) , intent(in) :: A(lda,*)
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integer (c_int64_t) , intent(in) , value :: size_A
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integer (c_int64_t) , intent(in) , value :: lda
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real (c_double ) , intent(in) :: B(ldb,*)
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integer (c_int64_t) , intent(in) , value :: size_B
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integer (c_int64_t) , intent(in) , value :: ldb
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real (c_double ) , intent(in) , value :: beta
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real (c_double ) , intent(out) :: C(ldc,*)
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integer (c_int64_t) , intent(in) , value :: size_C
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integer (c_int64_t) , intent(in) , value :: ldc
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integer(qmckl_exit_code) :: info
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info = QMCKL_SUCCESS
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if (context == QMCKL_NULL_CONTEXT) then
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@ -1369,76 +1351,39 @@ integer function qmckl_dgemm_safe_f(context, TransA, TransB, &
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call dgemm(transA, transB, int(m,4), int(n,4), int(k,4), &
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alpha, A, int(LDA,4), B, int(LDB,4), beta, C, int(LDC,4))
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end function qmckl_dgemm_safe_f
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end function qmckl_dgemm_safe
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#+end_src
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*** C interface :noexport:
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#+CALL: generate_c_interface(table=qmckl_dgemm_safe_args,rettyp="qmckl_exit_code",fname="qmckl_dgemm_safe")
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#+RESULTS:
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#+begin_src f90 :tangle (eval f) :comments org :exports none
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integer(c_int32_t) function qmckl_dgemm_safe &
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(context, TransA, TransB, m, n, k, alpha, A, size_A, lda, B, size_B, ldb, beta, C, size_C, ldc) &
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bind(C) result(info)
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use, intrinsic :: iso_c_binding
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implicit none
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integer (c_int64_t) , intent(in) , value :: context
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character(c_char) , intent(in) , value :: TransA
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character(c_char) , intent(in) , value :: TransB
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integer (c_int64_t) , intent(in) , value :: m
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integer (c_int64_t) , intent(in) , value :: n
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integer (c_int64_t) , intent(in) , value :: k
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real (c_double ) , intent(in) , value :: alpha
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real (c_double ) , intent(in) :: A(lda,*)
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integer (c_int64_t) , intent(in) , value :: size_A
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integer (c_int64_t) , intent(in) , value :: lda
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real (c_double ) , intent(in) :: B(ldb,*)
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integer (c_int64_t) , intent(in) , value :: size_B
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integer (c_int64_t) , intent(in) , value :: ldb
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real (c_double ) , intent(in) , value :: beta
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real (c_double ) , intent(out) :: C(ldc,*)
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integer (c_int64_t) , intent(in) , value :: size_C
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integer (c_int64_t) , intent(in) , value :: ldc
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integer(c_int32_t), external :: qmckl_dgemm_safe_f
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info = qmckl_dgemm_safe_f &
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(context, TransA, TransB, m, n, k, alpha, A, size_A, lda, B, size_B, ldb, beta, C, size_C, ldc)
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end function qmckl_dgemm_safe
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#+end_src
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#+CALL: generate_f_interface(table=qmckl_dgemm_safe_args,rettyp="qmckl_exit_code",fname="qmckl_dgemm_safe")
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#+RESULTS:
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#+begin_src f90 :tangle (eval fh_func) :comments org :exports none
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interface
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integer(c_int32_t) function qmckl_dgemm_safe &
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(context, TransA, TransB, m, n, k, alpha, A, size_A, lda, B, size_B, ldb, beta, C, size_C, ldc) &
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integer(qmckl_exit_code) function qmckl_dgemm_safe &
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(context, TransA, TransB, m, n, k, alpha, A, size_max_A, lda, B, size_max_B, ldb, beta, C, size_max_C, ldc) &
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bind(C)
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use, intrinsic :: iso_c_binding
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import
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implicit none
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integer (c_int64_t) , intent(in) , value :: context
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character(c_char) , intent(in) , value :: TransA
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character(c_char) , intent(in) , value :: TransB
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integer (qmckl_context), intent(in) , value :: context
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character(c_char ) , intent(in) , value :: TransA
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character(c_char ) , intent(in) , value :: TransB
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integer (c_int64_t) , intent(in) , value :: m
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integer (c_int64_t) , intent(in) , value :: n
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integer (c_int64_t) , intent(in) , value :: k
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real (c_double ) , intent(in) , value :: alpha
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real (c_double ) , intent(in) :: A(lda,*)
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integer (c_int64_t) , intent(in) , value :: size_A
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integer (c_int64_t) , intent(in) , value :: size_max_A
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integer (c_int64_t) , intent(in) , value :: lda
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real (c_double ) , intent(in) :: B(ldb,*)
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integer (c_int64_t) , intent(in) , value :: size_B
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integer (c_int64_t) , intent(in) , value :: size_max_B
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integer (c_int64_t) , intent(in) , value :: ldb
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real (c_double ) , intent(in) , value :: beta
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real (c_double ) , intent(out) :: C(ldc,*)
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integer (c_int64_t) , intent(in) , value :: size_C
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integer (c_int64_t) , intent(in) , value :: size_max_C
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integer (c_int64_t) , intent(in) , value :: ldc
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end function qmckl_dgemm_safe
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@ -1756,17 +1701,20 @@ print(C.T)
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LAPACK library.
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#+begin_src f90 :tangle (eval f) :exports none
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integer function qmckl_adjugate_f(context, na, A, LDA, B, ldb, det_l) &
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result(info)
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use qmckl
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function qmckl_adjugate(context, n, A, LDA, B, ldb, det_l) &
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result(info) bind(C)
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use qmckl_constants
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use, intrinsic :: iso_c_binding
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implicit none
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integer(qmckl_context) , intent(in) :: context
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double precision, intent(in) :: A (LDA,*)
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integer*8, intent(in) :: LDA
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double precision, intent(out) :: B (LDB,*)
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integer*8, intent(in) :: LDB
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integer*8, intent(in) :: na
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double precision, intent(inout) :: det_l
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integer (qmckl_context), intent(in) , value :: context
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integer (c_int64_t) , intent(in) , value :: n
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real (c_double ) , intent(in) :: A(lda,*)
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integer (c_int64_t) , intent(in) , value :: lda
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real (c_double ) , intent(out) :: B(ldb,*)
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integer (c_int64_t) , intent(in) , value :: ldb
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real (c_double ) , intent(inout) :: det_l
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integer(qmckl_exit_code) :: info
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info = QMCKL_SUCCESS
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@ -1775,7 +1723,7 @@ integer function qmckl_adjugate_f(context, na, A, LDA, B, ldb, det_l) &
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return
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endif
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if (na <= 0_8) then
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if (n <= 0_8) then
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info = QMCKL_INVALID_ARG_2
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return
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endif
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@ -1785,28 +1733,28 @@ integer function qmckl_adjugate_f(context, na, A, LDA, B, ldb, det_l) &
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return
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endif
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if (LDA < na) then
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if (LDA < n) then
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info = QMCKL_INVALID_ARG_4
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return
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endif
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select case (na)
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select case (n)
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case (5)
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call adjugate5(A,LDA,B,LDB,na,det_l)
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call adjugate5(A,LDA,B,LDB,n,det_l)
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case (4)
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call adjugate4(A,LDA,B,LDB,na,det_l)
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call adjugate4(A,LDA,B,LDB,n,det_l)
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case (3)
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call adjugate3(A,LDA,B,LDB,na,det_l)
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call adjugate3(A,LDA,B,LDB,n,det_l)
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case (2)
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call adjugate2(A,LDA,B,LDB,na,det_l)
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call adjugate2(A,LDA,B,LDB,n,det_l)
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case (1)
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det_l = a(1,1)
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b(1,1) = 1.d0
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det_l = a(1,1)
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b(1,1) = 1.d0
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case default
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call adjugate_general(context, na, A, LDA, B, LDB, det_l)
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call adjugate_general(context, n, A, LDA, B, LDB, det_l)
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end select
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end function qmckl_adjugate_f
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end function qmckl_adjugate
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#+end_src
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#+begin_src f90 :tangle (eval f) :exports none
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@ -2188,45 +2136,19 @@ subroutine cofactor5(A,LDA,B,LDB,na,det_l)
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end
|
||||
#+end_src
|
||||
|
||||
#+CALL: generate_c_interface(table=qmckl_adjugate_args,rettyp="qmckl_exit_code",fname="qmckl_adjugate")
|
||||
|
||||
#+RESULTS:
|
||||
#+begin_src f90 :tangle (eval f) :comments org :exports none
|
||||
integer(c_int32_t) function qmckl_adjugate &
|
||||
(context, n, A, lda, B, ldb, det_l) &
|
||||
bind(C) result(info)
|
||||
|
||||
use, intrinsic :: iso_c_binding
|
||||
implicit none
|
||||
|
||||
integer (c_int64_t) , intent(in) , value :: context
|
||||
integer (c_int64_t) , intent(in) , value :: n
|
||||
real (c_double ) , intent(in) :: A(lda,*)
|
||||
integer (c_int64_t) , intent(in) , value :: lda
|
||||
real (c_double ) , intent(out) :: B(ldb,*)
|
||||
integer (c_int64_t) , intent(in) , value :: ldb
|
||||
real (c_double ) , intent(inout) :: det_l
|
||||
|
||||
integer(c_int32_t), external :: qmckl_adjugate_f
|
||||
info = qmckl_adjugate_f &
|
||||
(context, n, A, lda, B, ldb, det_l)
|
||||
|
||||
end function qmckl_adjugate
|
||||
#+end_src
|
||||
|
||||
#+CALL: generate_f_interface(table=qmckl_adjugate_args,rettyp="qmckl_exit_code",fname="qmckl_adjugate")
|
||||
|
||||
#+RESULTS:
|
||||
#+begin_src f90 :tangle (eval fh_func) :comments org :exports none
|
||||
interface
|
||||
integer(c_int32_t) function qmckl_adjugate &
|
||||
integer(qmckl_exit_code) function qmckl_adjugate &
|
||||
(context, n, A, lda, B, ldb, det_l) &
|
||||
bind(C)
|
||||
use, intrinsic :: iso_c_binding
|
||||
import
|
||||
implicit none
|
||||
|
||||
integer (c_int64_t) , intent(in) , value :: context
|
||||
integer (qmckl_context), intent(in) , value :: context
|
||||
integer (c_int64_t) , intent(in) , value :: n
|
||||
real (c_double ) , intent(in) :: A(lda,*)
|
||||
integer (c_int64_t) , intent(in) , value :: lda
|
||||
@ -2315,7 +2237,7 @@ end subroutine adjugate_general
|
||||
|
||||
#+begin_src f90 :tangle (eval f_test)
|
||||
integer(qmckl_exit_code) function test_qmckl_adjugate(context) bind(C)
|
||||
use qmckl
|
||||
use qmckl_constants
|
||||
implicit none
|
||||
integer(qmckl_context), intent(in), value :: context
|
||||
|
||||
@ -2642,22 +2564,26 @@ printf("qmckl_adjugate ok\n");
|
||||
LAPACK library.
|
||||
|
||||
#+begin_src f90 :tangle (eval f) :exports none
|
||||
integer function qmckl_adjugate_safe_f(context, &
|
||||
function qmckl_adjugate_safe(context, &
|
||||
na, A, size_A, LDA, B, size_B, LDB, det_l) &
|
||||
result(info)
|
||||
use qmckl
|
||||
implicit none
|
||||
integer(qmckl_context) , intent(in) :: context
|
||||
double precision, intent(in) :: A (LDA,*)
|
||||
integer*8, intent(in) :: size_A
|
||||
integer*8, intent(in) :: LDA
|
||||
double precision, intent(out) :: B (LDB,*)
|
||||
integer*8, intent(in) :: size_B
|
||||
integer*8, intent(in) :: LDB
|
||||
integer*8, intent(in) :: na
|
||||
double precision, intent(inout) :: det_l
|
||||
result(info) bind(C)
|
||||
use, intrinsic :: iso_c_binding
|
||||
use qmckl_constants
|
||||
use qmckl, only: qmckl_adjugate
|
||||
|
||||
integer, external :: qmckl_adjugate_f
|
||||
implicit none
|
||||
|
||||
integer (qmckl_context), intent(in) , value :: context
|
||||
integer (c_int64_t) , intent(in) , value :: na
|
||||
real (c_double ) , intent(in) :: A(lda,*)
|
||||
integer (c_int64_t) , intent(in) , value :: size_A
|
||||
integer (c_int64_t) , intent(in) , value :: lda
|
||||
real (c_double ) , intent(out) :: B(ldb,*)
|
||||
integer (c_int64_t) , intent(in) , value :: size_B
|
||||
integer (c_int64_t) , intent(in) , value :: ldb
|
||||
real (c_double ) , intent(inout) :: det_l
|
||||
|
||||
integer(qmckl_exit_code) :: info
|
||||
|
||||
info = QMCKL_SUCCESS
|
||||
|
||||
@ -2671,7 +2597,7 @@ integer function qmckl_adjugate_safe_f(context, &
|
||||
return
|
||||
endif
|
||||
|
||||
info = qmckl_adjugate_f(context, na, A, LDA, B, LDB, det_l)
|
||||
info = qmckl_adjugate(context, na, A, LDA, B, LDB, det_l)
|
||||
|
||||
if (info == QMCKL_INVALID_ARG_4) then
|
||||
info = QMCKL_INVALID_ARG_5
|
||||
@ -2683,59 +2609,31 @@ integer function qmckl_adjugate_safe_f(context, &
|
||||
return
|
||||
endif
|
||||
|
||||
end function qmckl_adjugate_safe_f
|
||||
end function qmckl_adjugate_safe
|
||||
#+end_src
|
||||
|
||||
*** C interface
|
||||
|
||||
#+CALL: generate_c_interface(table=qmckl_adjugate_safe_args,rettyp="qmckl_exit_code",fname="qmckl_adjugate_safe")
|
||||
|
||||
#+RESULTS:
|
||||
#+begin_src f90 :tangle (eval f) :comments org :exports none
|
||||
integer(c_int32_t) function qmckl_adjugate_safe &
|
||||
(context, n, A, size_A, lda, B, size_B, ldb, det_l) &
|
||||
bind(C) result(info)
|
||||
|
||||
use, intrinsic :: iso_c_binding
|
||||
implicit none
|
||||
|
||||
integer (c_int64_t) , intent(in) , value :: context
|
||||
integer (c_int64_t) , intent(in) , value :: n
|
||||
real (c_double ) , intent(in) :: A(lda,*)
|
||||
integer (c_int64_t) , intent(in) , value :: lda
|
||||
integer (c_int64_t) , intent(in) , value :: size_A
|
||||
real (c_double ) , intent(out) :: B(ldb,*)
|
||||
integer (c_int64_t) , intent(in) , value :: ldb
|
||||
integer (c_int64_t) , intent(in) , value :: size_B
|
||||
real (c_double ) , intent(inout) :: det_l
|
||||
|
||||
integer(c_int32_t), external :: qmckl_adjugate_safe_f
|
||||
info = qmckl_adjugate_safe_f &
|
||||
(context, n, A, size_A, lda, B, size_B, ldb, det_l)
|
||||
|
||||
end function qmckl_adjugate_safe
|
||||
#+end_src
|
||||
|
||||
#+CALL: generate_f_interface(table=qmckl_adjugate_safe_args,rettyp="qmckl_exit_code",fname="qmckl_adjugate_safe")
|
||||
|
||||
#+RESULTS:
|
||||
#+begin_src f90 :tangle (eval fh_func) :comments org :exports none
|
||||
interface
|
||||
integer(c_int32_t) function qmckl_adjugate_safe &
|
||||
(context, n, A, size_A, lda, B, size_B, ldb, det_l) &
|
||||
integer(qmckl_exit_code) function qmckl_adjugate_safe &
|
||||
(context, n, A, size_max_A, lda, B, size_max_B, ldb, det_l) &
|
||||
bind(C)
|
||||
use, intrinsic :: iso_c_binding
|
||||
import
|
||||
implicit none
|
||||
|
||||
integer (c_int64_t) , intent(in) , value :: context
|
||||
integer (qmckl_context), intent(in) , value :: context
|
||||
integer (c_int64_t) , intent(in) , value :: n
|
||||
real (c_double ) , intent(in) :: A(lda,*)
|
||||
integer (c_int64_t) , intent(in) , value :: size_max_A
|
||||
integer (c_int64_t) , intent(in) , value :: lda
|
||||
integer (c_int64_t) , intent(in) , value :: size_A
|
||||
real (c_double ) , intent(out) :: B(ldb,*)
|
||||
integer (c_int64_t) , intent(in) , value :: size_max_B
|
||||
integer (c_int64_t) , intent(in) , value :: ldb
|
||||
integer (c_int64_t) , intent(in) , value :: size_B
|
||||
real (c_double ) , intent(inout) :: det_l
|
||||
|
||||
end function qmckl_adjugate_safe
|
||||
|
||||
Loading…
Reference in New Issue
Block a user