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Fix transition from new to old 4idx transformation

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Anthony Scemama 2022-05-27 19:00:06 +02:00
parent 727815751c
commit 2f1a5e6618
1 changed files with 1 additions and 1 deletions
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src/mo_two_e_ints/mo_bi_integrals.irp.f
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@ -53,7 +53,7 @@ BEGIN_PROVIDER [ logical, mo_two_e_integrals_in_map ]
! call four_idx_novvvv ! call four_idx_novvvv
call four_idx_novvvv_old call four_idx_novvvv_old
else else
if (ao_num*ao_num*ao_num*ao_num*32.d-9 < dble(qp_max_mem)) then if (ao_num*ao_num*ao_num*ao_num*32.d-6 < dble(qp_max_mem)) then
call four_idx_dgemm call four_idx_dgemm
else else
call add_integrals_to_map(full_ijkl_bitmask_4) call add_integrals_to_map(full_ijkl_bitmask_4)