evaluator_io.py File Reference

Go to the source code of this file.

Classes
class	src.evaluator_io.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...
class	src.evaluator_io.Evaluator_SMIRNOFF.OptionsFile
	Represents the set of options that a Evaluator_SMIRNOFF target will be run with. More...

Namespaces
	src.evaluator_io
	forcebalance.evaluator
	A target which employs the OpenFF Evaluator framework to compute condensed phase physical properties.

Variables
	src.evaluator_io.logger = getLogger(__name__)