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minor changes

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This commit is contained in:
Kevin Gasperich 2020-02-23 16:05:23 -06:00
parent 6d12abf088
commit 156be3b1bb
1 changed files with 9 additions and 9 deletions
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18
src/determinants/spindeterminants.irp.f
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@ -308,7 +308,7 @@ integer function get_index_in_psi_det_beta_unique(key,Nint)
end end
subroutine write_spindeterminants subroutine write_spindeterminants
!todo: modify for complex !todo: modify for complex (not called anywhere?)
if (is_complex) then if (is_complex) then
print*,irp_here,' not implemented for complex' print*,irp_here,' not implemented for complex'
stop -1 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 ! Rows are $\alpha$ determinants and columns are $\beta$, but the matrix is stored in row major
! format. ! format.
END_DOC END_DOC
integer :: i,j,k,l integer :: k,l
PROVIDE psi_bilinear_matrix_transp_rows 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 do l=1,N_states
!$OMP DO !$OMP DO
do k=1,N_det 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 ! Rows are $\alpha$ determinants and columns are $\beta$, but the matrix is stored in row major
! format. ! format.
END_DOC END_DOC
integer :: i,j,k,l integer :: k,l
PROVIDE psi_bilinear_matrix_transp_rows 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 do l=1,N_states
!$OMP DO !$OMP DO
do k=1,N_det do k=1,N_det
@ -758,7 +758,7 @@ BEGIN_PROVIDER [ complex*16, psi_bilinear_matrix_complex, (N_det_alpha_unique,N_
END_PROVIDER END_PROVIDER
subroutine create_wf_of_psi_bilinear_matrix(truncate) subroutine create_wf_of_psi_bilinear_matrix(truncate)
!todo: modify for complex !todo: modify for complex (not called anywhere?)
if (is_complex) then if (is_complex) then
print*,irp_here,' not implemented for complex' print*,irp_here,' not implemented for complex'
stop -1 stop -1
@ -834,7 +834,7 @@ subroutine create_wf_of_psi_bilinear_matrix(truncate)
end end
subroutine generate_all_alpha_beta_det_products 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 if (is_complex) then
print*,irp_here,' not implemented for complex' print*,irp_here,' not implemented for complex'
stop -1 stop -1
@ -982,7 +982,7 @@ end
subroutine copy_psi_bilinear_to_psi(psi, isize) subroutine copy_psi_bilinear_to_psi(psi, isize)
!todo: modify for complex !todo: modify for complex (not called anywhere?)
if (is_complex) then if (is_complex) then
print*,irp_here,' not implemented for complex' print*,irp_here,' not implemented for complex'
stop -1 stop -1
@ -1423,7 +1423,7 @@ END_TEMPLATE
subroutine wf_of_psi_bilinear_matrix(truncate) subroutine wf_of_psi_bilinear_matrix(truncate)
!todo: modify for complex !todo: modify for complex (not called anywhere?)
if (is_complex) then if (is_complex) then
print*,irp_here,' not implemented for complex' print*,irp_here,' not implemented for complex'
stop -1 stop -1