From ddc2dd44e9e8895aa2d12840660afcefd4db4bfc Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Fri, 5 Jan 2018 15:32:32 +0100 Subject: [PATCH] Switched back to old 4-idx --- src/Integrals_Bielec/mo_bi_integrals.irp.f | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/src/Integrals_Bielec/mo_bi_integrals.irp.f b/src/Integrals_Bielec/mo_bi_integrals.irp.f index c39dba36..9d884456 100644 --- a/src/Integrals_Bielec/mo_bi_integrals.irp.f +++ b/src/Integrals_Bielec/mo_bi_integrals.irp.f @@ -122,17 +122,17 @@ BEGIN_PROVIDER [ logical, mo_bielec_integrals_in_map ] endif else -! call add_integrals_to_map(full_ijkl_bitmask_4) + call add_integrals_to_map(full_ijkl_bitmask_4) ! call four_index_transform_zmq(ao_integrals_map,mo_integrals_map, & ! mo_coef, size(mo_coef,1), & ! 1, 1, 1, 1, ao_num, ao_num, ao_num, ao_num, & ! 1, 1, 1, 1, mo_num, mo_num, mo_num, mo_num) ! - call four_index_transform_block(ao_integrals_map,mo_integrals_map, & - mo_coef, size(mo_coef,1), & - 1, 1, 1, 1, ao_num, ao_num, ao_num, ao_num, & - 1, 1, 1, 1, mo_num, mo_num, mo_num, mo_num) +! call four_index_transform_block(ao_integrals_map,mo_integrals_map, & +! mo_coef, size(mo_coef,1), & +! 1, 1, 1, 1, ao_num, ao_num, ao_num, ao_num, & +! 1, 1, 1, 1, mo_num, mo_num, mo_num, mo_num) ! ! call four_index_transform(ao_integrals_map,mo_integrals_map, & ! mo_coef, size(mo_coef,1), &