Marion Nanosystems
| Privacy |
Method
Create your own favorite calculation methods and reuse them in
simulation after simulation. Specify parameters such as basis set,
number of k-points, exchange-correlation potential, etc.
Having worked with Virtual NanoLab/Atomistix ToolKit for some time, you will discover that you often use the same, or nearly the same, parameter sets in different calculations. Every time selecting clicking the appropriate parameter values in the Scripter gets tiresome after a while. Especially as you have to recall which parameters to change. Try the Method tool instead!
The Method tool allows you to create Method objects with your favorite parameter sets and use them in calculation after calculation. You could for example create one Method for rough estimates and one for high-accuracy calculations.
< back
