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Cleaned tmp_c and dtmp_c.
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@ -5013,8 +5013,6 @@ integer function qmckl_compute_tmp_c_f(context, cord_num, elec_num, nucl_num, &
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double precision , intent(in) :: een_rescaled_n(elec_num, nucl_num, 0:cord_num, walk_num)
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double precision , intent(out) :: tmp_c(elec_num, nucl_num,0:cord_num, 0:cord_num-1, walk_num)
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double precision :: x
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!double precision,dimension(:,:,:,:),allocatable :: een_rescaled_e_T
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!double precision,dimension(:,:,:,:),allocatable :: een_rescaled_n_T
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integer*8 :: i, j, a, l, kk, p, lmax, nw
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character :: TransA, TransB
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double precision :: alpha, beta
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@ -5025,27 +5023,6 @@ integer function qmckl_compute_tmp_c_f(context, cord_num, elec_num, nucl_num, &
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alpha = 1.0d0
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beta = 0.0d0
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!allocate(een_rescaled_e_T(elec_num,elec_num,0:cord_num,walk_num))
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!allocate(een_rescaled_n_T(elec_num,nucl_num,0:cord_num,walk_num))
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!do nw = 1,walk_num
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!do i = 1, elec_num
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! do j = 1, elec_num
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! do l = 0,cord_num
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! een_rescaled_e_T(i,j,l,nw) = een_rescaled_e(l,j,i,nw)
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! end do
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! end do
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!end do
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!end do
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!do nw = 1,walk_num
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!do i = 1, elec_num
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! do j = 1, nucl_num
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! do l = 0,cord_num
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! een_rescaled_n_T(i,j,l,nw) = een_rescaled_n(l,j,i,nw)
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! end do
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! end do
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!end do
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!end do
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info = QMCKL_SUCCESS
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if (context == QMCKL_NULL_CONTEXT) then
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@ -5084,16 +5061,7 @@ integer function qmckl_compute_tmp_c_f(context, cord_num, elec_num, nucl_num, &
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tmp_c(1,1,0,i,nw),LDC)
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end do
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end do
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!do kk=0, cord_num-1
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!do i=1,nucl_num
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! do j=1,elec_num
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! print *,tmp_c(j,i,:,kk,1)
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! end do
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!end do
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!end do
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!deallocate(een_rescaled_e_T)
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!deallocate(een_rescaled_n_T)
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end function qmckl_compute_tmp_c_f
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#+end_src
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@ -5178,8 +5146,6 @@ integer function qmckl_compute_dtmp_c_f(context, cord_num, elec_num, nucl_num, &
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character :: TransA, TransB
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double precision :: alpha, beta
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integer*8 :: M, N, K, LDA, LDB, LDC
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!double precision,dimension(:,:,:,:,:),allocatable :: een_rescaled_e_deriv_e_T
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!double precision,dimension(:,:,:,:),allocatable :: een_rescaled_n_T
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TransA = 'N'
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TransB = 'N'
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@ -5188,27 +5154,6 @@ integer function qmckl_compute_dtmp_c_f(context, cord_num, elec_num, nucl_num, &
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info = QMCKL_SUCCESS
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!allocate(een_rescaled_e_deriv_e_T(elec_num,4,elec_num,0:cord_num,walk_num))
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!allocate(een_rescaled_n_T(elec_num,nucl_num,0:cord_num,walk_num))
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!do nw = 1,walk_num
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!do i = 1, elec_num
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! do ii = 1, 4
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! do j = 1, elec_num
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! do l = 0,cord_num
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! een_rescaled_e_deriv_e_T(i,ii,j,l,nw) = een_rescaled_e_deriv_e(l,j,ii,i,nw)
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! end do
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! end do
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! end do
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!end do
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!do i = 1, elec_num
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! do j = 1, nucl_num
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! do l = 0,cord_num
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! een_rescaled_n_T(i,j,l,nw) = een_rescaled_n(l,j,i,nw)
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! end do
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! end do
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!end do
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!end do
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if (context == QMCKL_NULL_CONTEXT) then
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info = QMCKL_INVALID_CONTEXT
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return
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@ -5246,8 +5191,6 @@ integer function qmckl_compute_dtmp_c_f(context, cord_num, elec_num, nucl_num, &
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end do
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end do
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!deallocate(een_rescaled_e_deriv_e_T)
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!deallocate(een_rescaled_n_T)
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end function qmckl_compute_dtmp_c_f
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#+end_src
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