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ForceBalance API
1.3
Automated optimization of force fields and empirical potentials
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Classes | |
| class | Objective |
| Objective function. More... | |
| class | Penalty |
| Penalty functions for regularizing the force field optimizer. More... | |
Variables | |
| logger = getLogger(__name__) | |
| dictionary | Implemented_Targets |
| The table of implemented Targets. More... | |
| list | Letters = ['X','G','H'] |
| This is the canonical lettering that corresponds to : objective function, gradient, Hessian. More... | |
| dictionary src.objective.Implemented_Targets |
The table of implemented Targets.
Definition at line 83 of file objective.py.
| list src.objective.Letters = ['X','G','H'] |
This is the canonical lettering that corresponds to : objective function, gradient, Hessian.
Definition at line 128 of file objective.py.
| src.objective.logger = getLogger(__name__) |
Definition at line 20 of file objective.py.
1.8.13