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qp_plugins_scemama/devel/cc/integral_batches.irp.f

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2.6 KiB
FortranFixed
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2019-09-09 16:51:15 +02:00
BEGIN_PROVIDER [ double precision, OOOO, (spin_occ_num,spin_occ_num,spin_occ_num,spin_occ_num) ]
implicit none
BEGIN_DOC
END_DOC
OOOO(:,:,:,:) = dbERI( 1:spin_occ_num , 1:spin_occ_num , 1:spin_occ_num , 1:spin_occ_num )
END_PROVIDER
BEGIN_PROVIDER [ double precision, OOOV, (spin_occ_num,spin_occ_num,spin_occ_num,spin_vir_num) ]
implicit none
BEGIN_DOC
END_DOC
OOOV(:,:,:,:) = dbERI( 1:spin_occ_num , 1:spin_occ_num , 1:spin_occ_num ,spin_occ_num+1:spin_mo_num)
END_PROVIDER
BEGIN_PROVIDER [ double precision, OVOO, (spin_occ_num,spin_vir_num,spin_occ_num,spin_occ_num) ]
implicit none
BEGIN_DOC
END_DOC
OVOO(:,:,:,:) = dbERI( 1:spin_occ_num ,spin_occ_num+1:spin_mo_num, 1:spin_occ_num , 1:spin_occ_num )
END_PROVIDER
BEGIN_PROVIDER [ double precision, VOOO, (spin_vir_num,spin_occ_num,spin_occ_num,spin_occ_num) ]
implicit none
BEGIN_DOC
END_DOC
VOOO(:,:,:,:) = dbERI(spin_occ_num+1:spin_mo_num, 1:spin_occ_num , 1:spin_occ_num , 1:spin_occ_num )
END_PROVIDER
BEGIN_PROVIDER [ double precision, OOVV, (spin_occ_num,spin_occ_num,spin_vir_num,spin_vir_num) ]
implicit none
BEGIN_DOC
END_DOC
OOVV(:,:,:,:) = dbERI( 1:spin_occ_num , 1:spin_occ_num ,spin_occ_num+1:spin_mo_num,spin_occ_num+1:spin_mo_num)
END_PROVIDER
BEGIN_PROVIDER [ double precision, OVVO, (spin_occ_num,spin_vir_num,spin_vir_num,spin_occ_num) ]
implicit none
BEGIN_DOC
END_DOC
OVVO(:,:,:,:) = dbERI( 1:spin_occ_num ,spin_occ_num+1:spin_mo_num,spin_occ_num+1:spin_mo_num, 1:spin_occ_num )
END_PROVIDER
BEGIN_PROVIDER [ double precision, OVVV, (spin_occ_num,spin_vir_num,spin_vir_num,spin_vir_num) ]
implicit none
BEGIN_DOC
END_DOC
OVVV(:,:,:,:) = dbERI( 1:spin_occ_num ,spin_occ_num+1:spin_mo_num,spin_occ_num+1:spin_mo_num,spin_occ_num+1:spin_mo_num)
END_PROVIDER
BEGIN_PROVIDER [ double precision, VOVV, (spin_vir_num,spin_occ_num,spin_vir_num,spin_vir_num) ]
implicit none
BEGIN_DOC
END_DOC
VOVV(:,:,:,:) = dbERI(spin_occ_num+1:spin_mo_num, 1:spin_occ_num ,spin_occ_num+1:spin_mo_num,spin_occ_num+1:spin_mo_num)
END_PROVIDER
BEGIN_PROVIDER [ double precision, VVVO, (spin_vir_num,spin_vir_num,spin_vir_num,spin_occ_num) ]
implicit none
BEGIN_DOC
END_DOC
VVVO(:,:,:,:) = dbERI(spin_occ_num+1:spin_mo_num,spin_occ_num+1:spin_mo_num,spin_occ_num+1:spin_mo_num, 1:spin_occ_num )
END_PROVIDER
BEGIN_PROVIDER [ double precision, VVVV, (spin_vir_num,spin_vir_num,spin_vir_num,spin_vir_num) ]
implicit none
BEGIN_DOC
END_DOC
VVVV(:,:,:,:) = dbERI(spin_occ_num+1:spin_mo_num,spin_occ_num+1:spin_mo_num,spin_occ_num+1:spin_mo_num,spin_occ_num+1:spin_mo_num)
END_PROVIDER