excited

This is summary documentation for hippynn.graphs.nodes.excited module. Click here for full documentation.

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Nodes for excited state modeling.

Classes

LocalEnergyNode(name, parents[, ...])	Predict a localized energy, with contributions from implicitly computed atoms.
MAEPhaseLoss(predicted, true)
MSEPhaseLoss(predicted, true)
NACRMultiStateNode(name, parents[, module, ...])	Compute the non-adiabatic coupling vector multiplied by the energy difference between all pairs of states.
NACRNode(name, parents[, module, module_kwargs])	Compute the non-adiabatic coupling vector multiplied by the energy difference between two states.