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Samthos / MC-MPn-Direct

MIT License
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Basis set customizablity #3

Open Samthos opened 4 years ago

Samthos commented 4 years ago

Basis class should be able to deal with the use of different bases for different atoms. Refer to nwchem for the route style

Samthos commented 4 years ago

atom tag parser class implemented. It handles atom tags the same way that NWChem does.

Need to implement a way to specify multiple bases and what atoms they correspond to.