The current geometry

ADFview has a 'current' geometry. The molecule shown will be the one for the current geometry only.

To change the 'current' geoemtry, use the horizontal slider below the molecule window.

The visualisation items (surfaces) might be filtered in such a way that only items related to the current geometry are shown. This is the default when visualizing NEB results: you want to see how the density or an orbital changes going from one image to the next (using the slider). If you open different files the default is to show visualization items for all geometries at once. Thus you might compare orbitals from one fragment with those from another. You can switch this behaviour using the 'Show All Geometries' menu command from the View menu.

 

Copyright      Terms of Use      Privacy Policy
Search:
Home
About
News
Sitemap
Contact
Why ADF?
Brochure
Demos
Trial Version
How to buy
Downloads
FAQ
Newsletters
Documentation
Community