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https://github.com/TREX-CoE/qmckl.git
synced 2024-08-24 22:21:46 +02:00
Ordering problem in Fortran interface fixed
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f745899f3a
commit
b2395ece87
@ -991,13 +991,13 @@ function qmckl_dgemm(context, TransA, TransB, &
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integer (c_int64_t) , intent(in) , value :: n
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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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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) , 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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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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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_int64_t) , intent(in) , value :: ldc
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real (c_double ) , intent(in) , value :: beta
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real (c_double ) , intent(in) :: A(lda,*)
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real (c_double ) , intent(in) :: B(ldb,*)
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real (c_double ) , intent(out) :: C(ldc,*)
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integer(qmckl_exit_code) :: info
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integer(qmckl_exit_code) :: info
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#ifdef HAVE_LIBQMCKLDGEMM
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#ifdef HAVE_LIBQMCKLDGEMM
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@ -1114,13 +1114,13 @@ end function qmckl_dgemm
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integer (c_int64_t) , intent(in) , value :: n
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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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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) , 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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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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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(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_int64_t) , intent(in) , value :: ldc
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real (c_double ) , intent(in) :: A(lda,*)
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real (c_double ) , intent(in) :: B(ldb,*)
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real (c_double ) , intent(out) :: C(ldc,*)
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end function qmckl_dgemm
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end function qmckl_dgemm
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end interface
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end interface
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@ -1282,16 +1282,16 @@ function qmckl_dgemm_safe(context, TransA, TransB, &
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integer (c_int64_t) , intent(in) , value :: n
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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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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) , 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_A
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integer (c_int64_t) , intent(in) , value :: 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 :: size_B
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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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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(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_C
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integer (c_int64_t) , intent(in) , value :: ldc
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integer (c_int64_t) , intent(in) , value :: ldc
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real (c_double ) , intent(in) :: A(lda,*)
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real (c_double ) , intent(in) :: B(ldb,*)
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real (c_double ) , intent(out) :: C(ldc,*)
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integer(qmckl_exit_code) :: info
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integer(qmckl_exit_code) :: info
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info = QMCKL_SUCCESS
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info = QMCKL_SUCCESS
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@ -1373,16 +1373,16 @@ end function qmckl_dgemm_safe
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integer (c_int64_t) , intent(in) , value :: n
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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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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) , 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_max_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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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_max_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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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(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_max_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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integer (c_int64_t) , intent(in) , value :: ldc
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real (c_double ) , intent(in) :: A(lda,*)
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real (c_double ) , intent(in) :: B(ldb,*)
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real (c_double ) , intent(out) :: C(ldc,*)
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end function qmckl_dgemm_safe
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end function qmckl_dgemm_safe
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end interface
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end interface
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@ -1706,11 +1706,11 @@ function qmckl_adjugate(context, n, A, LDA, B, ldb, det_l) &
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integer (qmckl_context), intent(in) , value :: context
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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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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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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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integer (c_int64_t) , intent(in) , value :: ldb
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real (c_double ) , intent(inout) :: det_l
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real (c_double ) , intent(inout) :: det_l
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real (c_double ) , intent(in) :: A(lda,*)
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real (c_double ) , intent(out) :: B(ldb,*)
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integer(qmckl_exit_code) :: info
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integer(qmckl_exit_code) :: info
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info = QMCKL_SUCCESS
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info = QMCKL_SUCCESS
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@ -2147,11 +2147,11 @@ end
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integer (qmckl_context), intent(in) , value :: context
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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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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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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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integer (c_int64_t) , intent(in) , value :: ldb
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real (c_double ) , intent(inout) :: det_l
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real (c_double ) , intent(inout) :: det_l
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real (c_double ) , intent(in) :: A(lda,*)
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real (c_double ) , intent(out) :: B(ldb,*)
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end function qmckl_adjugate
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end function qmckl_adjugate
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end interface
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end interface
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@ -2571,13 +2571,13 @@ function qmckl_adjugate_safe(context, &
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integer (qmckl_context), intent(in) , value :: context
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integer (qmckl_context), intent(in) , value :: context
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integer (c_int64_t) , intent(in) , value :: na
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integer (c_int64_t) , intent(in) , value :: na
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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_A
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integer (c_int64_t) , intent(in) , value :: 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 :: size_B
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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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integer (c_int64_t) , intent(in) , value :: ldb
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real (c_double ) , intent(inout) :: det_l
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real (c_double ) , intent(inout) :: det_l
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real (c_double ) , intent(in) :: A(lda,*)
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real (c_double ) , intent(out) :: B(ldb,*)
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integer(qmckl_exit_code) :: info
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integer(qmckl_exit_code) :: info
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@ -2624,13 +2624,13 @@ end function qmckl_adjugate_safe
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integer (qmckl_context), intent(in) , value :: context
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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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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 :: size_max_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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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 :: size_max_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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integer (c_int64_t) , intent(in) , value :: ldb
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real (c_double ) , intent(inout) :: det_l
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real (c_double ) , intent(inout) :: det_l
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real (c_double ) , intent(in) :: A(lda,*)
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real (c_double ) , intent(out) :: B(ldb,*)
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end function qmckl_adjugate_safe
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end function qmckl_adjugate_safe
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end interface
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end interface
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@ -102,12 +102,12 @@ function qmckl_distance_sq(context, transa, transb, m, n, &
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character(c_char) , intent(in) , value :: transb
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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 :: m
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integer (c_int64_t) , intent(in) , value :: n
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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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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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integer (c_int64_t) , intent(in) , value :: ldb
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real (c_double ) , intent(out) :: C(ldc,n)
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integer (c_int64_t) , intent(in) , value :: ldc
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integer (c_int64_t) , intent(in) , value :: ldc
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real (c_double ) , intent(in) :: A(lda,*)
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real (c_double ) , intent(in) :: B(ldb,*)
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real (c_double ) , intent(out) :: C(ldc,n)
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integer(qmckl_exit_code) :: info
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integer(qmckl_exit_code) :: info
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@ -247,12 +247,12 @@ end function qmckl_distance_sq
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character(c_char ) , intent(in) , value :: transb
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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 :: m
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integer (c_int64_t) , intent(in) , value :: n
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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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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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integer (c_int64_t) , intent(in) , value :: ldb
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real (c_double ) , intent(out) :: C(ldc,n)
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integer (c_int64_t) , intent(in) , value :: ldc
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integer (c_int64_t) , intent(in) , value :: ldc
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real (c_double ) , intent(in) :: A(lda,*)
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real (c_double ) , intent(in) :: B(ldb,*)
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real (c_double ) , intent(out) :: C(ldc,n)
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end function qmckl_distance_sq
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end function qmckl_distance_sq
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end interface
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end interface
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@ -476,12 +476,12 @@ function qmckl_distance(context, transa, transb, m, n, &
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character(c_char) , intent(in) , value :: transb
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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 :: m
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integer (c_int64_t) , intent(in) , value :: n
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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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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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integer (c_int64_t) , intent(in) , value :: ldb
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real (c_double ) , intent(out) :: C(ldc,n)
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integer (c_int64_t) , intent(in) , value :: ldc
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integer (c_int64_t) , intent(in) , value :: ldc
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real (c_double ) , intent(in) :: A(lda,*)
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real (c_double ) , intent(in) :: B(ldb,*)
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real (c_double ) , intent(out) :: C(ldc,n)
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integer (qmckl_exit_code) :: info
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integer (qmckl_exit_code) :: info
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integer*8 :: i,j
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integer*8 :: i,j
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@ -627,12 +627,12 @@ end function qmckl_distance
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character(c_char ) , intent(in) , value :: transb
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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 :: m
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integer (c_int64_t) , intent(in) , value :: n
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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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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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integer (c_int64_t) , intent(in) , value :: ldb
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real (c_double ) , intent(out) :: C(ldc,n)
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integer (c_int64_t) , intent(in) , value :: ldc
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integer (c_int64_t) , intent(in) , value :: ldc
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real (c_double ) , intent(in) :: A(lda,*)
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real (c_double ) , intent(in) :: B(ldb,*)
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real (c_double ) , intent(out) :: C(ldc,n)
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end function qmckl_distance
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end function qmckl_distance
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end interface
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end interface
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@ -871,13 +871,13 @@ function qmckl_distance_rescaled(context, transa, transb, m, n, &
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character(c_char ) , intent(in) , value :: transb
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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 :: m
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integer (c_int64_t) , intent(in) , value :: n
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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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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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integer (c_int64_t) , intent(in) , value :: ldb
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real (c_double ) , intent(out) :: C(ldc,n)
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integer (c_int64_t) , intent(in) , value :: ldc
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integer (c_int64_t) , intent(in) , value :: ldc
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real (c_double ) , intent(in) , value :: rescale_factor_kappa
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real (c_double ) , intent(in) , value :: rescale_factor_kappa
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real (c_double ) , intent(in) :: A(lda,*)
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real (c_double ) , intent(in) :: B(ldb,*)
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real (c_double ) , intent(out) :: C(ldc,n)
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integer(qmckl_exit_code) :: info
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integer(qmckl_exit_code) :: info
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|
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integer*8 :: i,j
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integer*8 :: i,j
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@ -1031,13 +1031,13 @@ end function qmckl_distance_rescaled
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character(c_char ) , intent(in) , value :: transb
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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 :: m
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integer (c_int64_t) , intent(in) , value :: n
|
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
|
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
|
integer (c_int64_t) , intent(in) , value :: ldb
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real (c_double ) , intent(out) :: C(ldc,n)
|
|
||||||
integer (c_int64_t) , intent(in) , value :: ldc
|
integer (c_int64_t) , intent(in) , value :: ldc
|
||||||
real (c_double ) , intent(in) , value :: rescale_factor_kappa
|
real (c_double ) , intent(in) , value :: rescale_factor_kappa
|
||||||
|
real (c_double ) , intent(in) :: A(lda,*)
|
||||||
|
real (c_double ) , intent(in) :: B(ldb,*)
|
||||||
|
real (c_double ) , intent(out) :: C(ldc,n)
|
||||||
|
|
||||||
end function qmckl_distance_rescaled
|
end function qmckl_distance_rescaled
|
||||||
end interface
|
end interface
|
||||||
@ -1337,13 +1337,13 @@ function qmckl_distance_rescaled_gl(context, transa, transb, m, n, &
|
|||||||
character(c_char ) , intent(in) , value :: transb
|
character(c_char ) , intent(in) , value :: transb
|
||||||
integer (c_int64_t) , intent(in) , value :: m
|
integer (c_int64_t) , intent(in) , value :: m
|
||||||
integer (c_int64_t) , intent(in) , value :: n
|
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 :: lda
|
||||||
real (c_double ) , intent(in) :: B(ldb,*)
|
|
||||||
integer (c_int64_t) , intent(in) , value :: ldb
|
integer (c_int64_t) , intent(in) , value :: ldb
|
||||||
real (c_double ) , intent(out) :: C(4,ldc,n)
|
|
||||||
integer (c_int64_t) , intent(in) , value :: ldc
|
integer (c_int64_t) , intent(in) , value :: ldc
|
||||||
real (c_double ) , intent(in) , value :: rescale_factor_kappa
|
real (c_double ) , intent(in) , value :: rescale_factor_kappa
|
||||||
|
real (c_double ) , intent(in) :: A(lda,*)
|
||||||
|
real (c_double ) , intent(in) :: B(ldb,*)
|
||||||
|
real (c_double ) , intent(out) :: C(4,ldc,n)
|
||||||
|
|
||||||
integer*8 :: i,j
|
integer*8 :: i,j
|
||||||
real*8 :: x, y, z, dist, dist_inv
|
real*8 :: x, y, z, dist, dist_inv
|
||||||
@ -1512,13 +1512,13 @@ end function qmckl_distance_rescaled_gl
|
|||||||
character(c_char ) , intent(in) , value :: transb
|
character(c_char ) , intent(in) , value :: transb
|
||||||
integer (c_int64_t) , intent(in) , value :: m
|
integer (c_int64_t) , intent(in) , value :: m
|
||||||
integer (c_int64_t) , intent(in) , value :: n
|
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 :: lda
|
||||||
real (c_double ) , intent(in) :: B(ldb,*)
|
|
||||||
integer (c_int64_t) , intent(in) , value :: ldb
|
integer (c_int64_t) , intent(in) , value :: ldb
|
||||||
real (c_double ) , intent(out) :: C(4,ldc,n)
|
|
||||||
integer (c_int64_t) , intent(in) , value :: ldc
|
integer (c_int64_t) , intent(in) , value :: ldc
|
||||||
real (c_double ) , intent(in) , value :: rescale_factor_kappa
|
real (c_double ) , intent(in) , value :: rescale_factor_kappa
|
||||||
|
real (c_double ) , intent(in) :: A(lda,*)
|
||||||
|
real (c_double ) , intent(in) :: B(ldb,*)
|
||||||
|
real (c_double ) , intent(out) :: C(4,ldc,n)
|
||||||
|
|
||||||
end function qmckl_distance_rescaled_gl
|
end function qmckl_distance_rescaled_gl
|
||||||
end interface
|
end interface
|
||||||
|
Loading…
Reference in New Issue
Block a user