seqm_nodes

This is summary documentation for hippynn.interfaces.pyseqm_interface.seqm_nodes module. Click here for full documentation.

Links to Full Documentation:

Nodes for usage with hippynn node system.

Classes

AtomMaskNode(name, parents[, module])
SEQM_AllNode(name, parents, seqm_parameters)
SEQM_EnergyNode(name, parents, seqm_parameters)
SEQM_MaskOnMolAtomNode(name, parents[, module])	used for quantity like force with shape (molecules,atoms)
SEQM_MaskOnMolNode(name, parents[, module])	used for quantity like total energy, Heat of formation with shape (molecules,)
SEQM_MaskOnMolOrbitalAtomNode(name, parents)	used for quantity like orbital charge densit with shape (molecules,orbitals, atoms)
SEQM_MaskOnMolOrbitalNode(name, parents[, ...])	used for quantity like orbital energy with shape (molecules,orbitals)
SEQM_MolMaskNode(name, parents[, module])
SEQM_OrbitalMaskNode(name, parents, ...[, ...])
ScaleNode(name, parents[, func, module])