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

Go to the source code of this file.

Classes

class  src.custom_io.Gen_Reader
 Finite state machine for parsing custom GROMACS force field files. More...
 

Namespaces

 src.custom_io
 
 forcebalance.custom_io
 Custom force field parser.
 

Variables

list src.custom_io.cptypes = [None, 'CPGAUSS', 'CPEXPG', 'CPGEXP']
 Types of counterpoise correction. More...
 
list src.custom_io.ndtypes = [None]
 Types of NDDO correction. More...
 
dictionary src.custom_io.fdict
 Section -> Interaction type dictionary. More...
 
dictionary src.custom_io.pdict
 Interaction type -> Parameter Dictionary. More...