ForceBalance API
1.3
Automated optimization of force fields and empirical potentials
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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 |