molden

Produces a Molden file

Needs:

  • ao_coef

  • ao_expo

  • ao_l

  • ao_num

  • ao_power

  • ao_prim_num

  • element_name

  • ezfio_filename

  • fock_matrix_mo

  • mo_coef

  • mo_num

  • mo_occ

  • nucl_charge

  • nucl_coord

  • nucl_list_shell_aos

  • nucl_num

Calls:

  • isort()