Command ViewOrb

Comand format

ViewOrb 'ExpOrb' OrbUse [OrbComponent]

or

ViewOrb 'ResWvFun' [OrbComponent]

This command take a computed molecular orbital or resonance wave function and writes it out in a form needed to plot. The form with 'ExpOrb' yields an orbital that has been expanded using ExpOrb. The orbital group written out is indicated by OrbUse, and specific component that is written out is controlled by the optional parameter OrbComponent. The default value of OrbComponent is 1. The form with 'ResWvFun' writes out an orbital that has been created using the ResWvFun comamnd. The component of the symmetry type written out is controlled by the optional parameter OrbComponent which has a default value of 1. The command FileName is used to select what is written out and where it is put.

Data records used

Examples of use