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

Go to the source code of this file.

Classes

class  src.ffyapf.BackedUpDict
 
class  src.ffyapf.FF
 Force field class. More...
 

Namespaces

 src.ffyapf
 
 forcebalance.forcefield
 Force field module.
 

Functions

def src.ffyapf.determine_fftype (ffname, verbose=False)
 Determine the type of a force field file. More...
 
def src.ffyapf.rs_override (rsfactors, termtype, Temperature=298.15)
 This function takes in a dictionary (rsfactors) and a string (termtype). More...
 

Variables

 src.ffyapf.logger = getLogger(__name__)
 
dictionary src.ffyapf.FF_Extensions
 
dictionary src.ffyapf.FF_IOModules