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Switched back to old 4-idx

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This commit is contained in:
Anthony Scemama 2018-01-05 15:32:32 +01:00
parent 792288600d
commit ddc2dd44e9
1 changed files with 5 additions and 5 deletions
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src/Integrals_Bielec/mo_bi_integrals.irp.f
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@ -122,17 +122,17 @@ BEGIN_PROVIDER [ logical, mo_bielec_integrals_in_map ]
endif endif
else 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, & ! call four_index_transform_zmq(ao_integrals_map,mo_integrals_map, &
! mo_coef, size(mo_coef,1), & ! mo_coef, size(mo_coef,1), &
! 1, 1, 1, 1, ao_num, ao_num, ao_num, ao_num, & ! 1, 1, 1, 1, ao_num, ao_num, ao_num, ao_num, &
! 1, 1, 1, 1, mo_num, mo_num, mo_num, mo_num) ! 1, 1, 1, 1, mo_num, mo_num, mo_num, mo_num)
! !
call four_index_transform_block(ao_integrals_map,mo_integrals_map, & ! call four_index_transform_block(ao_integrals_map,mo_integrals_map, &
mo_coef, size(mo_coef,1), & ! mo_coef, size(mo_coef,1), &
1, 1, 1, 1, ao_num, ao_num, ao_num, ao_num, & ! 1, 1, 1, 1, ao_num, ao_num, ao_num, ao_num, &
1, 1, 1, 1, mo_num, mo_num, mo_num, mo_num) ! 1, 1, 1, 1, mo_num, mo_num, mo_num, mo_num)
! !
! call four_index_transform(ao_integrals_map,mo_integrals_map, & ! call four_index_transform(ao_integrals_map,mo_integrals_map, &
! mo_coef, size(mo_coef,1), & ! mo_coef, size(mo_coef,1), &