Editing ADF View (section)

== '''Structure and Reactivity''' ==

Geometry Optimizations, Transition State searches, Intrinsic Reaction Coordinates, Linear
Transit
ADFinput: Select 'Main Options' from the Menu on the right hand side. Select 'Geometry Optimization',
http://www.scm.com/Doc/Doc2007.01/ADFGUI/ADFGUI_quickreference/print.html
'Transition State Search', 'IRC', or 'Linear Transit' in the 'Preset' menu.
ADFmovie: follow the steps in the geometry .
ADFUsersGuide: geometry optimization [1], TS [1,2], IRC [1], LT [1].
Optimizations in Cartesian, internal, and delocalized coordinates
ADFinput: Select 'Coordinates' from the 'Model' Menu. Select 'Cartesian', 'Internal', or 'Delocalized' from the
'Use ... coordinates' menu.
ADFUsersGuide: coordinates [1].
Constraints
ADFinput: Select 'Coordinates' from the 'Model' Menu. To freeze a coordinate: check the corresponding box
in the list of atoms.
ADFinput: Select 'Geometry Restraints' from the 'Details' Menu. Select the checkbox 'Include restraints'.
Select the atoms with the mouse. Select the 'Add' command to add a restraint.
ADFUsersGuide: constraints [1,2,3].