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

Go to the source code of this file.

Classes

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

Namespaces

 src.forcefield
 
 forcebalance.forcefield
 Force field module.
 

Functions

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

Variables

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