From 39c00dd990b359dd3b17d7048a1b03633bd87d14 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Sat, 5 Mar 2022 15:31:16 +0100 Subject: [PATCH] Better sorting in spindeterminants --- external/qp2-dependencies | 2 +- src/determinants/spindeterminants.irp.f | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/external/qp2-dependencies b/external/qp2-dependencies index bc856147..90ee61f5 160000 --- a/external/qp2-dependencies +++ b/external/qp2-dependencies @@ -1 +1 @@ -Subproject commit bc856147f6e626a6616b20344e5b8e3f30f44a92 +Subproject commit 90ee61f5041c7c94a0c605625a264860292813a0 diff --git a/src/determinants/spindeterminants.irp.f b/src/determinants/spindeterminants.irp.f index dea4a566..dd55e112 100644 --- a/src/determinants/spindeterminants.irp.f +++ b/src/determinants/spindeterminants.irp.f @@ -585,7 +585,7 @@ END_PROVIDER enddo !$OMP ENDDO !$OMP END PARALLEL - call i8radix_sort(to_sort, psi_bilinear_matrix_transp_order, N_det,-1) + call i8sort(to_sort, psi_bilinear_matrix_transp_order, N_det) call iset_order(psi_bilinear_matrix_transp_rows,psi_bilinear_matrix_transp_order,N_det) call iset_order(psi_bilinear_matrix_transp_columns,psi_bilinear_matrix_transp_order,N_det) !$OMP PARALLEL DO DEFAULT(SHARED) PRIVATE(l)