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Fixed cholesky

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This commit is contained in:
Anthony Scemama 2024-06-05 03:16:55 +02:00
parent 19286bede4
commit 36a2f0b46f
1 changed files with 2 additions and 2 deletions
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4
src/ao_two_e_ints/cholesky.irp.f
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@ -272,9 +272,10 @@ END_PROVIDER
allocate(computed(nq)) allocate(computed(nq))
computed(:) = .False.
!print *, 'N, rank, block_size', N, rank, block_size !print *, 'N, rank, block_size', N, rank, block_size
!$OMP PARALLEL DEFAULT(SHARED) PRIVATE(k,p,q) !$OMP PARALLEL DEFAULT(SHARED) PRIVATE(k,p,q)
do k=1,N do k=1,N
!$OMP DO !$OMP DO
@ -285,7 +286,6 @@ END_PROVIDER
!$OMP DO !$OMP DO
do q=1,nq do q=1,nq
computed(q) = .False.
Ltmp_q(q,k) = L(Dset(q),k) Ltmp_q(q,k) = L(Dset(q),k)
enddo enddo
!$OMP END DO NOWAIT !$OMP END DO NOWAIT