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Avoid FPE in Jastrow

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This commit is contained in:
Anthony Scemama 2023-08-23 13:53:37 +02:00
parent 71d271572e
commit 2a38543ba0
1 changed files with 6 additions and 1 deletions
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org/qmckl_jastrow_champ.org
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@ -9943,7 +9943,12 @@ integer function qmckl_compute_jastrow_champ_value_doc_f(context, &
end do end do
do i = 1, walk_num do i = 1, walk_num
value(i) = dexp(value(i)) ! Flush to zero to avoid floating-point exception
if (value(i) < -100.d0) then
value(i) = 0.d0
else
value(i) = dexp(value(i))
endif
end do end do
end function qmckl_compute_jastrow_champ_value_doc_f end function qmckl_compute_jastrow_champ_value_doc_f