mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-08-31 05:03:40 +02:00
30 lines
613 B
Fortran
30 lines
613 B
Fortran
program print_hamiltonian
|
|
implicit none
|
|
BEGIN_DOC
|
|
! Prints the Hamiltonian matrix defined in the space of determinants
|
|
! present in the |EZFIO| directory.
|
|
END_DOC
|
|
|
|
! this has to be done in order to be sure that N_det, psi_det and
|
|
! psi_coef_sorted are the wave function stored in the |EZFIO| directory.
|
|
read_wf = .True.
|
|
touch read_wf
|
|
call run
|
|
end
|
|
|
|
subroutine run
|
|
implicit none
|
|
integer :: i, j
|
|
double precision :: hij
|
|
|
|
do j=1,N_det
|
|
do i=1,N_det
|
|
call i_H_j(psi_det(1,1,i), psi_det(1,1,j), N_int, hij)
|
|
if (dabs(hij) > 1.d-20) then
|
|
print *, i, j, hij
|
|
endif
|
|
enddo
|
|
enddo
|
|
|
|
end
|