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Reduced memory

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This commit is contained in:
Anthony Scemama 2024-12-10 19:59:13 +01:00
parent 3e6b5fd378
commit 53c636f8c7
1 changed files with 3 additions and 3 deletions
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org/qmckl_jastrow_champ_single.org
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@ -2168,7 +2168,7 @@ integer function qmckl_compute_jastrow_champ_factor_single_een_doc_f( &
double precision :: delta_c(nucl_num,0:cord_num, 0:cord_num-1, walk_num)
double precision :: delta_c2(elec_num, nucl_num,0:cord_num, 0:cord_num-1, walk_num)
double precision :: een_rescaled_delta_n(nucl_num, 0:cord_num, walk_num)
double precision :: een_rescaled_delta_n(nucl_num, 0:cord_num)
integer*8 :: i, a, j, l, k, p, m, n, nw, num
double precision :: accu, accu2, cn
@ -2190,7 +2190,7 @@ integer function qmckl_compute_jastrow_champ_factor_single_een_doc_f( &
if (cord_num == 0) return
do nw =1, walk_num
een_rescaled_delta_n(:,:,nw) = een_rescaled_single_n(:,:,nw) - een_rescaled_n(num,:,:,nw)
een_rescaled_delta_n(:,:) = een_rescaled_single_n(:,:,nw) - een_rescaled_n(num,:,:,nw)
do n = 1, dim_c_vector
l = lkpm_combined_index(n, 1)
k = lkpm_combined_index(n, 2)
@ -2205,7 +2205,7 @@ integer function qmckl_compute_jastrow_champ_factor_single_een_doc_f( &
do j = 1, elec_num
accu = accu + een_rescaled_n(j,a,m,nw) * delta_p(j,a,m+l,k,nw)
end do
accu = accu + een_rescaled_delta_n(a,m,nw) * (tmp_c(num,a,m+l,k,nw) + delta_p(num,a,m+l,k,nw))
accu = accu + een_rescaled_delta_n(a,m) * (tmp_c(num,a,m+l,k,nw) + delta_p(num,a,m+l,k,nw))
delta_een(nw) = delta_een(nw) + accu * cn
end do
end do