Dressing with Jastrow

plugins/local/dmc_dress/EZFIO.cfg

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+[dmc_delta_h]
+type: double precision
+doc: Dressing matrix obtained from DMC
+size: (determinants.n_det)
+interface: ezfio, provider
+

plugins/local/dmc_dress/NEED

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+selectors_full
+generators_full
+davidson_dressed

plugins/local/dmc_dress/dmc_dress.irp.f

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+program diagonalize_h
+ implicit none
+ BEGIN_DOC
+! Program that extracts the lowest states of the Hamiltonian dressed by the QMC
+! dressing vector stored in :option:`dmc_dressing dmc_delta_h`
+!
+ END_DOC
+ read_wf = .True.
+ touch read_wf
+ call routine
+ call save_wavefunction_general(N_det,N_states,psi_det_sorted,size(psi_coef_sorted,1),psi_coef_sorted)
+end
+
+subroutine routine
+ implicit none
+ psi_coef(1:N_det,1) = ci_eigenvectors_dressed(1:N_det,1)
+ print*,'N_det = ',N_det
+ SOFT_TOUCH psi_coef
+end

plugins/local/dmc_dress/dressing_vector.irp.f

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+ BEGIN_PROVIDER [ double precision, dressing_column_h, (N_det,N_states) ]
+&BEGIN_PROVIDER [ double precision, dressing_column_s, (N_det,N_states) ]
+ implicit none
+ BEGIN_DOC
+ ! \Delta_{state-specific}. \Psi
+ END_DOC
+
+ integer :: i,ii,k,j, l
+ double precision :: f, tmp
+ double precision, external :: u_dot_v
+ logical, external :: detEq
+
+ dressing_column_h(:,:) = 0.d0
+ dressing_column_s(:,:) = 0.d0
+
+ l = dressed_column_idx(1)
+ do j = 1, n_det
+   dressing_column_h(j,1) = 0.5d0*dmc_delta_h(j)
+   dressing_column_h(l,1) -= 0.5d0 * psi_coef(j,1) * dmc_delta_h(j) /psi_coef(l,1)
+ enddo
+END_PROVIDER
+
+
+