[MMTK] Charge attribute to Atom class

Aashish Jain aashish.jain at monash.edu
Fri Aug 5 07:57:21 UTC 2011


Hi,
MMTK has a class called "Atom" to generate atoms of desired properties.
I want to add charge on each atom while I am generating them.
Is it possible to do in a straightforward manner (like adding a 
parameter "charge" in the argument list of Atom)?

For example, right now I add the radius attribute to the Atom by writing:
Atom(element, radius=radius, name='B').

Or is there any other way to add charges on the atom?

Thanks,
Aashish



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