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Fix HFX initialization perf issue

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Augustin Bussy 2025-09-25 14:19:04 +02:00
parent 0fcd32efd1
commit 99574d054d
1 changed files with 2 additions and 2 deletions
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4
src/hfx_pair_list_methods.F
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@ -463,7 +463,7 @@ CONTAINS
pmax_blocks, atomic_pair_list)
INTEGER, INTENT(IN) :: natom
TYPE(pair_list_type), INTENT(OUT) :: list
TYPE(pair_list_type), INTENT(INOUT) :: list
TYPE(pair_set_list_type), DIMENSION(:), &
INTENT(OUT) :: set_list
INTEGER, INTENT(IN) :: i_start, i_end, j_start, j_end, &
@ -644,7 +644,7 @@ CONTAINS
pmax_blocks, atomic_pair_list, skip_atom_symmetry)
INTEGER, INTENT(IN) :: natom
TYPE(pair_list_type_mp2) :: list
TYPE(pair_list_type_mp2), INTENT(INOUT) :: list
TYPE(pair_set_list_type), DIMENSION(:), &
INTENT(OUT) :: set_list
INTEGER, INTENT(IN) :: i_start, i_end, j_start, j_end, &