The syntax and sub-options are exactly the same as for CUBE, except that the files produced are in a format that can be used directly in the gOpenMol visualization program. The following should be noted.
rungOpenMol -ifilename.crd
INTERACT
is given in the input, when all the grids have been calculated, an attempt is made to start gOpenMol by executing the Unix command rungOpenMol. If rungOpenMol is not in $PATH, then nothing happens. Otherwise, gOpenMol should start and display the molecule. Any .plt files produced can be added to the display by following the Plot;Contour menu item. The name of the Unix command may be changed from the default rungOpenMol by specifying it as the first argument to the INTERACT directive. By default, gOpenMol is not started, and this is equivalent to giving the command BATCH.
molpro@molpro.net