Fixed cholesky

QuantumPackage · Jun 5, 2024 · 36a2f0b · 36a2f0b
1 parent 19286be
commit 36a2f0b
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/src/ao_two_e_ints/cholesky.irp.f b/src/ao_two_e_ints/cholesky.irp.f
@@ -272,9 +272,10 @@
 
 
        allocate(computed(nq))
+       computed(:) = .False.
 
-!print *, 'N, rank, block_size', N, rank, block_size
 
+!print *, 'N, rank, block_size', N, rank, block_size
        !$OMP PARALLEL DEFAULT(SHARED) PRIVATE(k,p,q)
        do k=1,N
          !$OMP DO
@@ -285,7 +286,6 @@
 
          !$OMP DO
          do q=1,nq
-           computed(q) = .False.
            Ltmp_q(q,k) = L(Dset(q),k)
          enddo
          !$OMP END DO NOWAIT