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quantum_package/plugins/Integrals_erf/test_bitmasks_integrals.irp.f

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882 B
Fortran
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2017-04-15 19:15:10 +02:00
program pouet
implicit none
call routine
end
subroutine routine
implicit none
integer(bit_kind) :: mask_ijkl(N_int,4)
integer, allocatable :: list_ijkl(:,:)
integer :: i,j
integer :: n_i,n_j,n_k,n_l
do i = 1,N_int
mask_ijkl(i,1) = inact_bitmask(i,1)
mask_ijkl(i,2) = inact_bitmask(i,1)
mask_ijkl(i,3) = inact_bitmask(i,1)
mask_ijkl(i,4) = inact_bitmask(i,1)
enddo
allocate(list_ijkl(mo_tot_num,4))
call bitstring_to_list( mask_ijkl(1,1), list_ijkl(1,1), n_i, N_int )
call bitstring_to_list( mask_ijkl(1,2), list_ijkl(1,2), n_j, N_int )
call bitstring_to_list( mask_ijkl(1,3), list_ijkl(1,3), n_k, N_int )
call bitstring_to_list( mask_ijkl(1,4), list_ijkl(1,4), n_l, N_int )
print*,'n_i,n_j = ',n_i,n_j
print*,'n_k,n_l = ',n_k,n_l
do i =1, n_i
print*,list_ijkl(i,1), list_ijkl(i,2)
enddo
deallocate(list_ijkl)
end