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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-23 03:53:29 +01:00

Fix transition from new to old 4idx transformation

This commit is contained in:
Anthony Scemama 2022-05-27 19:00:06 +02:00
parent 727815751c
commit 2f1a5e6618

View File

@ -53,7 +53,7 @@ BEGIN_PROVIDER [ logical, mo_two_e_integrals_in_map ]
! call four_idx_novvvv
call four_idx_novvvv_old
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
else
call add_integrals_to_map(full_ijkl_bitmask_4)