From ca98a6b529b3aa47d125e27d4b8031ac88a55c41 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Fri, 7 Jun 2024 16:46:25 +0200 Subject: [PATCH] Fixed previous commit --- src/mo_two_e_ints/cholesky.irp.f | 42 ++++++++++++++++---------------- 1 file changed, 21 insertions(+), 21 deletions(-) diff --git a/src/mo_two_e_ints/cholesky.irp.f b/src/mo_two_e_ints/cholesky.irp.f index 5d34fb33..971ab38d 100644 --- a/src/mo_two_e_ints/cholesky.irp.f +++ b/src/mo_two_e_ints/cholesky.irp.f @@ -22,27 +22,27 @@ BEGIN_PROVIDER [ integer, cholesky_mo_num ] endif END_PROVIDER -!BEGIN_PROVIDER [ double precision, cholesky_mo, (mo_num, mo_num, cholesky_mo_num) ] -! implicit none -! BEGIN_DOC -! ! Cholesky vectors in MO basis -! END_DOC -! -! integer :: k, i, j -! -! call set_multiple_levels_omp(.False.) -! !$OMP PARALLEL DO PRIVATE(k) -! do k=1,cholesky_mo_num -! do j=1,mo_num -! do i=1,mo_num -! cholesky_mo(i,j,k) = cholesky_mo_transp(k,i,j) -! enddo -! enddo -! enddo -! !$OMP END PARALLEL DO -! -!END_PROVIDER -! +BEGIN_PROVIDER [ double precision, cholesky_mo, (mo_num, mo_num, cholesky_mo_num) ] + implicit none + BEGIN_DOC + ! Cholesky vectors in MO basis + END_DOC + + integer :: k, i, j + + call set_multiple_levels_omp(.False.) + !$OMP PARALLEL DO PRIVATE(k) + do k=1,cholesky_mo_num + do j=1,mo_num + do i=1,mo_num + cholesky_mo(i,j,k) = cholesky_mo_transp(k,i,j) + enddo + enddo + enddo + !$OMP END PARALLEL DO + +END_PROVIDER + BEGIN_PROVIDER [ double precision, cholesky_mo_transp, (cholesky_mo_num, mo_num, mo_num) ] implicit none BEGIN_DOC