mliap_interface

This is summary documentation for hippynn.interfaces.lammps_interface.mliap_interface module. Click here for full documentation.

Links to Full Documentation:

Interface for creating LAMMPS MLIAP Unified models.

Functions

setup_LAMMPS_graph(energy)

Classes

LocalAtomEnergyNode(name, parents[, module])
LocalAtomsEnergy()
MLIAPInterface(*args, **kwargs)	Class for creating ML-IAP Unified model based on hippynn graphs.
ReIndexAtomMod(*args, **kwargs)
ReIndexAtomNode(name, parents[, module])