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minor changes
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@ -308,7 +308,7 @@ integer function get_index_in_psi_det_beta_unique(key,Nint)
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end
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end
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subroutine write_spindeterminants
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subroutine write_spindeterminants
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!todo: modify for complex
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!todo: modify for complex (not called anywhere?)
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if (is_complex) then
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if (is_complex) then
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print*,irp_here,' not implemented for complex'
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print*,irp_here,' not implemented for complex'
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stop -1
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stop -1
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@ -568,11 +568,11 @@ BEGIN_PROVIDER [ double precision, psi_bilinear_matrix_transp_values, (N_det,N_
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! Rows are $\alpha$ determinants and columns are $\beta$, but the matrix is stored in row major
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! Rows are $\alpha$ determinants and columns are $\beta$, but the matrix is stored in row major
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! format.
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! format.
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END_DOC
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END_DOC
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integer :: i,j,k,l
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integer :: k,l
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PROVIDE psi_bilinear_matrix_transp_rows
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PROVIDE psi_bilinear_matrix_transp_rows
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!$OMP PARALLEL DEFAULT(SHARED) PRIVATE(i,j,k,l)
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!$OMP PARALLEL DEFAULT(SHARED) PRIVATE(k,l)
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do l=1,N_states
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do l=1,N_states
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!$OMP DO
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!$OMP DO
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do k=1,N_det
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do k=1,N_det
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@ -600,11 +600,11 @@ BEGIN_PROVIDER [ complex*16, psi_bilinear_matrix_transp_values_complex, (N_det,
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! Rows are $\alpha$ determinants and columns are $\beta$, but the matrix is stored in row major
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! Rows are $\alpha$ determinants and columns are $\beta$, but the matrix is stored in row major
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! format.
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! format.
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END_DOC
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END_DOC
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integer :: i,j,k,l
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integer :: k,l
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PROVIDE psi_bilinear_matrix_transp_rows
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PROVIDE psi_bilinear_matrix_transp_rows
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!$OMP PARALLEL DEFAULT(SHARED) PRIVATE(i,j,k,l)
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!$OMP PARALLEL DEFAULT(SHARED) PRIVATE(k,l)
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do l=1,N_states
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do l=1,N_states
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!$OMP DO
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!$OMP DO
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do k=1,N_det
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do k=1,N_det
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@ -758,7 +758,7 @@ BEGIN_PROVIDER [ complex*16, psi_bilinear_matrix_complex, (N_det_alpha_unique,N_
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END_PROVIDER
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END_PROVIDER
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subroutine create_wf_of_psi_bilinear_matrix(truncate)
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subroutine create_wf_of_psi_bilinear_matrix(truncate)
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!todo: modify for complex
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!todo: modify for complex (not called anywhere?)
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if (is_complex) then
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if (is_complex) then
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print*,irp_here,' not implemented for complex'
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print*,irp_here,' not implemented for complex'
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stop -1
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stop -1
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@ -834,7 +834,7 @@ subroutine create_wf_of_psi_bilinear_matrix(truncate)
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end
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end
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subroutine generate_all_alpha_beta_det_products
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subroutine generate_all_alpha_beta_det_products
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!todo: modify for complex
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!todo: modify for complex (only used by create_wf_of_psi_bilinear_matrix?)
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if (is_complex) then
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if (is_complex) then
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print*,irp_here,' not implemented for complex'
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print*,irp_here,' not implemented for complex'
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stop -1
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stop -1
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@ -982,7 +982,7 @@ end
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subroutine copy_psi_bilinear_to_psi(psi, isize)
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subroutine copy_psi_bilinear_to_psi(psi, isize)
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!todo: modify for complex
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!todo: modify for complex (not called anywhere?)
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if (is_complex) then
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if (is_complex) then
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print*,irp_here,' not implemented for complex'
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print*,irp_here,' not implemented for complex'
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stop -1
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stop -1
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@ -1423,7 +1423,7 @@ END_TEMPLATE
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subroutine wf_of_psi_bilinear_matrix(truncate)
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subroutine wf_of_psi_bilinear_matrix(truncate)
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!todo: modify for complex
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!todo: modify for complex (not called anywhere?)
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if (is_complex) then
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if (is_complex) then
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print*,irp_here,' not implemented for complex'
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print*,irp_here,' not implemented for complex'
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stop -1
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stop -1
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