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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.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 |
1.8.13