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@ -22,27 +22,27 @@ BEGIN_PROVIDER [ integer, cholesky_mo_num ]
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endif
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END_PROVIDER
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!BEGIN_PROVIDER [ double precision, cholesky_mo, (mo_num, mo_num, cholesky_mo_num) ]
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! implicit none
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! BEGIN_DOC
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! ! Cholesky vectors in MO basis
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! END_DOC
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!
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! integer :: k, i, j
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!
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! call set_multiple_levels_omp(.False.)
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! !$OMP PARALLEL DO PRIVATE(k)
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! do k=1,cholesky_mo_num
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! do j=1,mo_num
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! do i=1,mo_num
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! cholesky_mo(i,j,k) = cholesky_mo_transp(k,i,j)
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! enddo
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! enddo
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! enddo
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! !$OMP END PARALLEL DO
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!
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!END_PROVIDER
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!
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BEGIN_PROVIDER [ double precision, cholesky_mo, (mo_num, mo_num, cholesky_mo_num) ]
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implicit none
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BEGIN_DOC
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! Cholesky vectors in MO basis
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END_DOC
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integer :: k, i, j
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call set_multiple_levels_omp(.False.)
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!$OMP PARALLEL DO PRIVATE(k)
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do k=1,cholesky_mo_num
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do j=1,mo_num
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do i=1,mo_num
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cholesky_mo(i,j,k) = cholesky_mo_transp(k,i,j)
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enddo
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enddo
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enddo
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!$OMP END PARALLEL DO
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END_PROVIDER
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BEGIN_PROVIDER [ double precision, cholesky_mo_transp, (cholesky_mo_num, mo_num, mo_num) ]
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implicit none
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BEGIN_DOC
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