Presets and Defaults

All input options have default values. However, the default values depend on the main task you have chosen, and on further properties you may select to calculate. ADFinput uses presets that are simply a collection of input values to be used together as defaults.

A preset may set all or just a few input options. After you have selected a preset (using the Preset menu on the main panel), fields that are set by the selected preset will be show with a green color.

ADFinput has a couple of templates for typical calculations (currently Single Point, Geometry Optimization, IRC, Linear Transit, Frequencies, Transition State Search, Fragment Analysis and Properties Only). You may also define your own templates.

To switch from Task, we suggest you use the Preset menu. That way you will not only switch from task, but also set some other input options that are suggested for those tasks.