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Code Issues Projects Releases Wiki Activity

Ordering problem in Fortran interface fixed

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This commit is contained in:
Anthony Scemama 2024-02-23 16:15:56 +01:00
parent f745899f3a
commit b2395ece87
2 changed files with 45 additions and 45 deletions
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42
org/qmckl_blas.org
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@ -991,13 +991,13 @@ function qmckl_dgemm(context, TransA, TransB, &
integer (c_int64_t) , intent(in) , value :: n integer (c_int64_t) , intent(in) , value :: n
integer (c_int64_t) , intent(in) , value :: k integer (c_int64_t) , intent(in) , value :: k
real (c_double ) , intent(in) , value :: alpha real (c_double ) , intent(in) , value :: alpha
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(in) , value :: beta
real (c_double ) , intent(out) :: C(ldc,*)
integer (c_int64_t) , intent(in) , value :: ldc integer (c_int64_t) , intent(in) , value :: ldc
real (c_double ) , intent(in) , value :: beta
real (c_double ) , intent(in) :: A(lda,*)
real (c_double ) , intent(in) :: B(ldb,*)
real (c_double ) , intent(out) :: C(ldc,*)
integer(qmckl_exit_code) :: info integer(qmckl_exit_code) :: info
#ifdef HAVE_LIBQMCKLDGEMM #ifdef HAVE_LIBQMCKLDGEMM
@ -1114,13 +1114,13 @@ end function qmckl_dgemm
integer (c_int64_t) , intent(in) , value :: n integer (c_int64_t) , intent(in) , value :: n
integer (c_int64_t) , intent(in) , value :: k integer (c_int64_t) , intent(in) , value :: k
real (c_double ) , intent(in) , value :: alpha real (c_double ) , intent(in) , value :: alpha
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(in) , value :: beta real (c_double ) , intent(in) , value :: beta
real (c_double ) , intent(out) :: C(ldc,*)
integer (c_int64_t) , intent(in) , value :: ldc integer (c_int64_t) , intent(in) , value :: ldc
real (c_double ) , intent(in) :: A(lda,*)
real (c_double ) , intent(in) :: B(ldb,*)
real (c_double ) , intent(out) :: C(ldc,*)
end function qmckl_dgemm end function qmckl_dgemm
end interface end interface
@ -1282,16 +1282,16 @@ function qmckl_dgemm_safe(context, TransA, TransB, &
integer (c_int64_t) , intent(in) , value :: n integer (c_int64_t) , intent(in) , value :: n
integer (c_int64_t) , intent(in) , value :: k integer (c_int64_t) , intent(in) , value :: k
real (c_double ) , intent(in) , value :: alpha real (c_double ) , intent(in) , value :: alpha
real (c_double ) , intent(in) :: A(lda,*)
integer (c_int64_t) , intent(in) , value :: size_A integer (c_int64_t) , intent(in) , value :: size_A
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 :: size_B integer (c_int64_t) , intent(in) , value :: size_B
integer (c_int64_t) , intent(in) , value :: ldb integer (c_int64_t) , intent(in) , value :: ldb
real (c_double ) , intent(in) , value :: beta real (c_double ) , intent(in) , value :: beta
real (c_double ) , intent(out) :: C(ldc,*)
integer (c_int64_t) , intent(in) , value :: size_C integer (c_int64_t) , intent(in) , value :: size_C
integer (c_int64_t) , intent(in) , value :: ldc integer (c_int64_t) , intent(in) , value :: ldc
real (c_double ) , intent(in) :: A(lda,*)
real (c_double ) , intent(in) :: B(ldb,*)
real (c_double ) , intent(out) :: C(ldc,*)
integer(qmckl_exit_code) :: info integer(qmckl_exit_code) :: info
info = QMCKL_SUCCESS info = QMCKL_SUCCESS
@ -1373,16 +1373,16 @@ end function qmckl_dgemm_safe
integer (c_int64_t) , intent(in) , value :: n integer (c_int64_t) , intent(in) , value :: n
integer (c_int64_t) , intent(in) , value :: k integer (c_int64_t) , intent(in) , value :: k
real (c_double ) , intent(in) , value :: alpha real (c_double ) , intent(in) , value :: alpha
real (c_double ) , intent(in) :: A(lda,*)
integer (c_int64_t) , intent(in) , value :: size_max_A 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 :: lda
real (c_double ) , intent(in) :: B(ldb,*)
integer (c_int64_t) , intent(in) , value :: size_max_B 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 :: ldb
real (c_double ) , intent(in) , value :: beta real (c_double ) , intent(in) , value :: beta
real (c_double ) , intent(out) :: C(ldc,*)
integer (c_int64_t) , intent(in) , value :: size_max_C integer (c_int64_t) , intent(in) , value :: size_max_C
integer (c_int64_t) , intent(in) , value :: ldc integer (c_int64_t) , intent(in) , value :: ldc
real (c_double ) , intent(in) :: A(lda,*)
real (c_double ) , intent(in) :: B(ldb,*)
real (c_double ) , intent(out) :: C(ldc,*)
end function qmckl_dgemm_safe end function qmckl_dgemm_safe
end interface end interface
@ -1706,11 +1706,11 @@ function qmckl_adjugate(context, n, A, LDA, B, ldb, det_l) &
integer (qmckl_context), intent(in) , value :: context integer (qmckl_context), intent(in) , value :: context
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(out) :: B(ldb,*)
integer (c_int64_t) , intent(in) , value :: ldb integer (c_int64_t) , intent(in) , value :: ldb
real (c_double ) , intent(inout) :: det_l real (c_double ) , intent(inout) :: det_l
real (c_double ) , intent(in) :: A(lda,*)
real (c_double ) , intent(out) :: B(ldb,*)
integer(qmckl_exit_code) :: info integer(qmckl_exit_code) :: info
info = QMCKL_SUCCESS info = QMCKL_SUCCESS
@ -2147,11 +2147,11 @@ end
integer (qmckl_context), intent(in) , value :: context integer (qmckl_context), intent(in) , value :: context
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(out) :: B(ldb,*)
integer (c_int64_t) , intent(in) , value :: ldb integer (c_int64_t) , intent(in) , value :: ldb
real (c_double ) , intent(inout) :: det_l real (c_double ) , intent(inout) :: det_l
real (c_double ) , intent(in) :: A(lda,*)
real (c_double ) , intent(out) :: B(ldb,*)
end function qmckl_adjugate end function qmckl_adjugate
end interface end interface
@ -2571,13 +2571,13 @@ function qmckl_adjugate_safe(context, &
integer (qmckl_context), intent(in) , value :: context integer (qmckl_context), intent(in) , value :: context
integer (c_int64_t) , intent(in) , value :: na 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 :: size_A
integer (c_int64_t) , intent(in) , value :: lda 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 :: size_B
integer (c_int64_t) , intent(in) , value :: ldb integer (c_int64_t) , intent(in) , value :: ldb
real (c_double ) , intent(inout) :: det_l real (c_double ) , intent(inout) :: det_l
real (c_double ) , intent(in) :: A(lda,*)
real (c_double ) , intent(out) :: B(ldb,*)
integer(qmckl_exit_code) :: info integer(qmckl_exit_code) :: info
@ -2624,13 +2624,13 @@ end function qmckl_adjugate_safe
integer (qmckl_context), intent(in) , value :: context integer (qmckl_context), intent(in) , value :: context
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 :: size_max_A 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 :: lda
real (c_double ) , intent(out) :: B(ldb,*)
integer (c_int64_t) , intent(in) , value :: size_max_B 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 :: ldb
real (c_double ) , intent(inout) :: det_l real (c_double ) , intent(inout) :: det_l
real (c_double ) , intent(in) :: A(lda,*)
real (c_double ) , intent(out) :: B(ldb,*)
end function qmckl_adjugate_safe end function qmckl_adjugate_safe
end interface end interface

48
org/qmckl_distance.org
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@ -102,12 +102,12 @@ function qmckl_distance_sq(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(ldc,n)
integer (c_int64_t) , intent(in) , value :: ldc integer (c_int64_t) , intent(in) , value :: ldc
real (c_double ) , intent(in) :: A(lda,*)
real (c_double ) , intent(in) :: B(ldb,*)
real (c_double ) , intent(out) :: C(ldc,n)
integer(qmckl_exit_code) :: info integer(qmckl_exit_code) :: info
@ -247,12 +247,12 @@ end function qmckl_distance_sq
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(ldc,n)
integer (c_int64_t) , intent(in) , value :: ldc integer (c_int64_t) , intent(in) , value :: ldc
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_sq end function qmckl_distance_sq
end interface end interface
@ -476,12 +476,12 @@ function qmckl_distance(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(ldc,n)
integer (c_int64_t) , intent(in) , value :: ldc integer (c_int64_t) , intent(in) , value :: ldc
real (c_double ) , intent(in) :: A(lda,*)
real (c_double ) , intent(in) :: B(ldb,*)
real (c_double ) , intent(out) :: C(ldc,n)
integer (qmckl_exit_code) :: info integer (qmckl_exit_code) :: info
integer*8 :: i,j integer*8 :: i,j
@ -627,12 +627,12 @@ end function qmckl_distance
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(ldc,n)
integer (c_int64_t) , intent(in) , value :: ldc integer (c_int64_t) , intent(in) , value :: ldc
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 end function qmckl_distance
end interface end interface
@ -871,13 +871,13 @@ function qmckl_distance_rescaled(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(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)
integer(qmckl_exit_code) :: info integer(qmckl_exit_code) :: info
integer*8 :: i,j integer*8 :: i,j
@ -1031,13 +1031,13 @@ end function qmckl_distance_rescaled
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(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