NWChem input

[herbertludowieg]

Is your feature request related to a problem? Please describe.
So, the nwchem input generator is a bit of a mess as it stands. I had to add a lot of inputs to be able to use it and I feel that it might be good to use a different approach.

Describe the solution you'd like
I think it would be good if we could simplify it to templates. At least I have found it to be the most useful when I needed to generate a lot of files from displaced structures that use the exact same inputs and the only thing that changes are the coordinates. Maybe, we can go the route of making a different method in the class that can take in a template or templates as inputs and the program takes care of splicing in the coordinates.

Describe alternatives you've considered
Appending more and more variables.

Additional context
I wonder if it would also be worthwhile to make a few basic templates for some of the more used calculations that are done like Geometry Optimizations and whatnot. Open to suggestions you might have.