ForceBalance API  1.3
Automated optimization of force fields and empirical potentials
Classes | Namespaces | Variables
counterpoise.py File Reference

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Classes

class  src.counterpoise.Counterpoise
 Target subclass for matching the counterpoise correction. More...
 

Namespaces

 src.counterpoise
 
 forcebalance.counterpoise
 Match an empirical potential to the counterpoise correction for basis set superposition error (BSSE).
 

Variables

 src.counterpoise.logger = getLogger(__name__)