1
0
mirror of https://gitlab.com/scemama/qp_plugins_scemama.git synced 2024-06-02 11:25:23 +02:00
qp_plugins_scemama/deprecated/cc/integral_batches.irp.f

194 lines
7.3 KiB
FortranFixed
Raw Normal View History

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
2019-09-11 17:09:30 +02:00
OOOO(:,:,:,:) = dbERI( &
1:spin_occ_num, &
1:spin_occ_num, &
1:spin_occ_num, &
1:spin_occ_num )
2019-09-09 16:51:15 +02:00
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
2019-09-11 17:09:30 +02:00
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, OOVO, (spin_occ_num,spin_occ_num,spin_vir_num,spin_occ_num) ]
implicit none
BEGIN_DOC
END_DOC
OOVO(:,:,:,:) = dbERI( &
1:spin_occ_num, &
1:spin_occ_num, &
spin_occ_num+1:spin_mo_num, &
1:spin_occ_num)
2019-09-09 16:51:15 +02:00
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
2019-09-11 17:09:30 +02:00
OVOO(:,:,:,:) = dbERI( &
1:spin_occ_num, &
spin_occ_num+1:spin_mo_num, &
1:spin_occ_num, &
1:spin_occ_num)
2019-09-09 16:51:15 +02:00
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
2019-09-11 17:09:30 +02:00
VOOO(:,:,:,:) = dbERI( &
spin_occ_num+1:spin_mo_num, &
1:spin_occ_num, &
1:spin_occ_num, &
1:spin_occ_num)
2019-09-09 16:51:15 +02:00
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
2019-09-11 17:09:30 +02:00
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, OVOV, (spin_occ_num,spin_vir_num,spin_occ_num,spin_vir_num) ]
implicit none
BEGIN_DOC
END_DOC
OVOV(:,:,:,:) = dbERI( &
1:spin_occ_num, &
spin_occ_num+1:spin_mo_num, &
1:spin_occ_num, &
spin_occ_num+1:spin_mo_num)
2019-09-09 16:51:15 +02:00
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
2019-09-11 17:09:30 +02:00
OVVO(:,:,:,:) = dbERI( &
1:spin_occ_num, &
spin_occ_num+1:spin_mo_num, &
spin_occ_num+1:spin_mo_num, &
1:spin_occ_num)
2019-09-09 16:51:15 +02:00
END_PROVIDER
2019-09-18 18:40:08 +02:00
BEGIN_PROVIDER [ double precision, OVVO_prime, (spin_occ_num,spin_vir_num,spin_vir_num,spin_occ_num) ]
implicit none
BEGIN_DOC
END_DOC
integer :: m,b,e,j
do j=1,spin_occ_num
do b=1,spin_vir_num
do e=1,spin_vir_num
do m=1,spin_occ_num
OVVO_prime(m,e,b,j) = OVVO(m,b,e,j)
enddo
enddo
enddo
enddo
FREE OVVO
END_PROVIDER
2019-09-09 16:51:15 +02:00
2019-09-11 17:09:30 +02:00
BEGIN_PROVIDER [ double precision, VOVO, (spin_vir_num,spin_occ_num,spin_vir_num,spin_occ_num) ]
implicit none
BEGIN_DOC
END_DOC
VOVO(:,:,:,:) = dbERI( &
spin_occ_num+1:spin_mo_num, &
1:spin_occ_num, &
spin_occ_num+1:spin_mo_num, &
1:spin_occ_num)
END_PROVIDER
BEGIN_PROVIDER [ double precision, VVOO, (spin_vir_num,spin_vir_num,spin_occ_num,spin_occ_num) ]
2019-09-09 16:51:15 +02:00
implicit none
BEGIN_DOC
END_DOC
2019-09-11 17:09:30 +02:00
VVOO(:,:,:,:) = dbERI( &
spin_occ_num+1:spin_mo_num, &
spin_occ_num+1:spin_mo_num, &
1:spin_occ_num, &
1:spin_occ_num)
2019-09-09 16:51:15 +02:00
END_PROVIDER
2019-09-11 17:09:30 +02:00
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
2019-09-09 16:51:15 +02:00
BEGIN_PROVIDER [ double precision, VOVV, (spin_vir_num,spin_occ_num,spin_vir_num,spin_vir_num) ]
implicit none
BEGIN_DOC
END_DOC
2019-09-11 17:09:30 +02:00
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)
2019-09-09 16:51:15 +02:00
END_PROVIDER
2019-09-11 17:09:30 +02:00
BEGIN_PROVIDER [ double precision, VVOV, (spin_vir_num,spin_vir_num,spin_occ_num,spin_vir_num) ]
2019-09-09 16:51:15 +02:00
implicit none
BEGIN_DOC
END_DOC
2019-09-11 17:09:30 +02:00
VVOV(:,:,:,:) = dbERI( &
spin_occ_num+1:spin_mo_num, &
spin_occ_num+1:spin_mo_num, &
1:spin_occ_num, &
spin_occ_num+1:spin_mo_num)
2019-09-09 16:51:15 +02:00
END_PROVIDER
2019-09-11 17:09:30 +02:00
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
2019-09-09 16:51:15 +02:00
BEGIN_PROVIDER [ double precision, VVVV, (spin_vir_num,spin_vir_num,spin_vir_num,spin_vir_num) ]
implicit none
BEGIN_DOC
END_DOC
2019-09-11 17:09:30 +02:00
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)
2019-09-09 16:51:15 +02:00
END_PROVIDER