From bec30cc258f9d500469729e379f8cad6496b92af Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Wed, 23 Nov 2022 12:14:33 +0100 Subject: [PATCH] Fix radix sort --- src/determinants/spindeterminants.irp.f | 2 +- src/mo_two_e_erf_ints/map_integrals_erf.irp.f | 12 ++++++------ 2 files changed, 7 insertions(+), 7 deletions(-) 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) diff --git a/src/mo_two_e_erf_ints/map_integrals_erf.irp.f b/src/mo_two_e_erf_ints/map_integrals_erf.irp.f index 73050ec5..3405ec2b 100644 --- a/src/mo_two_e_erf_ints/map_integrals_erf.irp.f +++ b/src/mo_two_e_erf_ints/map_integrals_erf.irp.f @@ -235,11 +235,11 @@ subroutine get_mo_two_e_integrals_erf_ij(k,l,sze,out_array,map) logical :: integral_is_in_map if (key_kind == 8) then - call i8radix_sort(hash,iorder,kk,-1) + call i8sort(hash,iorder,kk) else if (key_kind == 4) then - call iradix_sort(hash,iorder,kk,-1) + call isort(hash,iorder,kk) else if (key_kind == 2) then - call i2radix_sort(hash,iorder,kk,-1) + call i2sort(hash,iorder,kk) endif call map_get_many(mo_integrals_erf_map, hash, tmp_val, kk) @@ -290,11 +290,11 @@ subroutine get_mo_two_e_integrals_erf_i1j1(k,l,sze,out_array,map) logical :: integral_is_in_map if (key_kind == 8) then - call i8radix_sort(hash,iorder,kk,-1) + call i8sort(hash,iorder,kk) else if (key_kind == 4) then - call iradix_sort(hash,iorder,kk,-1) + call isort(hash,iorder,kk) else if (key_kind == 2) then - call i2radix_sort(hash,iorder,kk,-1) + call i2sort(hash,iorder,kk) endif call map_get_many(mo_integrals_erf_map, hash, tmp_val, kk)