.. include:: autodoc_abbr_options_c.rst .. index:: Molden WebMO visualization .. _`sec:molden`: Interface to Molden ========================================== .. codeauthor:: Justin M. Turney .. sectionauthor:: C. David Sherrill |PSIfour| contains an interface to the Molden program. Molden is a visualization program for electronic structure developed by Gijs Schaftenaar at the University of of Nijmegen, Netherlands. It is available at `http://www.cmbi.ru.nl/molden/ `_. Molden can plot atomic orbitals, densities, electrostatic potentials (ESP's), etc. |PSIfour| can create a file containing atomic coordinates, basis set, and SCF orbital coefficients in the so-called Molden format. This file is written by the SCF module (see Section :ref:`SCF `) if the user sets the |scf__molden_write| keyword to true. This Molden file is also used to pass information between |PSIfour| and WebMO, if |PSIfour| computations are invoked using the WebMO GUI. The filename of the Molden file ends in ".molden", and the prefix is determined by |globals__writer_file_label| (if set), or else by the name of the output file plus the name of the current molecule.