program dmc_dress_multistate 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 implicit none 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 integer :: k do k = 1, N_states print *, ' state:', k psi_coef(1:N_det,k) = ci_eigenvectors_nonsym_dressed(1:N_det,k) print *, 'E = ', ci_energy_nonsym_dressed(k) + nuclear_repulsion enddo SOFT_TOUCH psi_coef end ! ---