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QuantumPackage/plugins/local/tc_bi_ortho/psi_left_qmc.irp.f

49 lines
972 B
Fortran

! ---
BEGIN_PROVIDER [ double precision, psi_bitcleft_bilinear_matrix_values, (N_det,N_states) ]
BEGIN_DOC
! Sparse coefficient matrix if the wave function is expressed in a bilinear form :
! $D_\alpha^\dagger.C.D_\beta$
!
! Rows are $\alpha$ determinants and columns are $\beta$.
!
! Order refers to psi_det
END_DOC
use bitmasks
implicit none
integer :: k, l
!print *, ' providing psi_bitcleft_bilinear_matrix_values'
if(N_det .eq. 1) then
do l = 1, N_states
psi_bitcleft_bilinear_matrix_values(1,l) = 1.d0
enddo
else
do l = 1, N_states
do k = 1, N_det
psi_bitcleft_bilinear_matrix_values(k,l) = psi_l_coef_bi_ortho(k,l)
enddo
enddo
PROVIDE psi_bilinear_matrix_order
do l = 1, N_states
call dset_order(psi_bitcleft_bilinear_matrix_values(1,l), psi_bilinear_matrix_order, N_det)
enddo
endif
!print *, ' psi_bitcleft_bilinear_matrix_values OK'
END_PROVIDER
! ---