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qp2/plugins/local/dmc_dress/dmc_dress.irp.f

20 lines
499 B
Fortran

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