ForceBalance API
1.3
Automated optimization of force fields and empirical potentials
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Classes | |
class | Evaluator_SMIRNOFF |
A custom optimisation target which employs the openff-evaluator package to rapidly estimate a collection of condensed phase physical properties at each optimisation epoch. More... | |
Variables | |
logger = getLogger(__name__) | |
src.evaluator_io.logger = getLogger(__name__) |
Definition at line 39 of file evaluator_io.py.