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Better sorting in spindeterminants

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This commit is contained in:
Anthony Scemama 2022-03-05 15:31:16 +01:00
parent bd188abd39
commit 39c00dd990
2 changed files with 2 additions and 2 deletions
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2
external/qp2-dependencies vendored

@ -1 +1 @@
Subproject commit bc856147f6e626a6616b20344e5b8e3f30f44a92 Subproject commit 90ee61f5041c7c94a0c605625a264860292813a0

2
src/determinants/spindeterminants.irp.f
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@ -585,7 +585,7 @@ END_PROVIDER
enddo enddo
!$OMP ENDDO !$OMP ENDDO
!$OMP END PARALLEL !$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_rows,psi_bilinear_matrix_transp_order,N_det)
call iset_order(psi_bilinear_matrix_transp_columns,psi_bilinear_matrix_transp_order,N_det) call iset_order(psi_bilinear_matrix_transp_columns,psi_bilinear_matrix_transp_order,N_det)
!$OMP PARALLEL DO DEFAULT(SHARED) PRIVATE(l) !$OMP PARALLEL DO DEFAULT(SHARED) PRIVATE(l)