From 156be3b1bb89c6ae59f4584f2b325266edd4bb77 Mon Sep 17 00:00:00 2001 From: Kevin Gasperich Date: Sun, 23 Feb 2020 16:05:23 -0600 Subject: [PATCH] minor changes --- src/determinants/spindeterminants.irp.f | 18 +++++++++--------- 1 file changed, 9 insertions(+), 9 deletions(-) diff --git a/src/determinants/spindeterminants.irp.f b/src/determinants/spindeterminants.irp.f index 974ec614..028122ec 100644 --- a/src/determinants/spindeterminants.irp.f +++ b/src/determinants/spindeterminants.irp.f @@ -308,7 +308,7 @@ integer function get_index_in_psi_det_beta_unique(key,Nint) end subroutine write_spindeterminants - !todo: modify for complex + !todo: modify for complex (not called anywhere?) if (is_complex) then print*,irp_here,' not implemented for complex' stop -1 @@ -568,11 +568,11 @@ BEGIN_PROVIDER [ double precision, psi_bilinear_matrix_transp_values, (N_det,N_ ! Rows are $\alpha$ determinants and columns are $\beta$, but the matrix is stored in row major ! format. END_DOC - integer :: i,j,k,l + integer :: k,l PROVIDE psi_bilinear_matrix_transp_rows - !$OMP PARALLEL DEFAULT(SHARED) PRIVATE(i,j,k,l) + !$OMP PARALLEL DEFAULT(SHARED) PRIVATE(k,l) do l=1,N_states !$OMP DO do k=1,N_det @@ -600,11 +600,11 @@ BEGIN_PROVIDER [ complex*16, psi_bilinear_matrix_transp_values_complex, (N_det, ! Rows are $\alpha$ determinants and columns are $\beta$, but the matrix is stored in row major ! format. END_DOC - integer :: i,j,k,l + integer :: k,l PROVIDE psi_bilinear_matrix_transp_rows - !$OMP PARALLEL DEFAULT(SHARED) PRIVATE(i,j,k,l) + !$OMP PARALLEL DEFAULT(SHARED) PRIVATE(k,l) do l=1,N_states !$OMP DO do k=1,N_det @@ -758,7 +758,7 @@ BEGIN_PROVIDER [ complex*16, psi_bilinear_matrix_complex, (N_det_alpha_unique,N_ END_PROVIDER subroutine create_wf_of_psi_bilinear_matrix(truncate) - !todo: modify for complex + !todo: modify for complex (not called anywhere?) if (is_complex) then print*,irp_here,' not implemented for complex' stop -1 @@ -834,7 +834,7 @@ subroutine create_wf_of_psi_bilinear_matrix(truncate) end subroutine generate_all_alpha_beta_det_products - !todo: modify for complex + !todo: modify for complex (only used by create_wf_of_psi_bilinear_matrix?) if (is_complex) then print*,irp_here,' not implemented for complex' stop -1 @@ -982,7 +982,7 @@ end subroutine copy_psi_bilinear_to_psi(psi, isize) - !todo: modify for complex + !todo: modify for complex (not called anywhere?) if (is_complex) then print*,irp_here,' not implemented for complex' stop -1 @@ -1423,7 +1423,7 @@ END_TEMPLATE subroutine wf_of_psi_bilinear_matrix(truncate) - !todo: modify for complex + !todo: modify for complex (not called anywhere?) if (is_complex) then print*,irp_here,' not implemented for complex' stop -1