inputs module

Full Documentation for hippynn.graphs.nodes.inputs module. Click here for a summary page.

Nodes for inputting information to the graph.

class CellNode(name=None, db_name=None, index_state=None)

Bases: InputNode

index_state = 'Systems'

input_type_str = 'Cells'

serialization_attributes = ('db_name', 'index_state', 'requires_grad')

class ForceNode(name=None, db_name=None, index_state=None)

Bases: InputNode

index_state = 'SysAtom'

input_type_str = 'Force'

serialization_attributes = ('db_name', 'index_state', 'requires_grad')

class InputCharges(name=None, db_name=None, index_state=None)

Bases: Charges, InputNode

index_state = 'SysAtom'

input_type_str = 'InputCharges'

serialization_attributes = ('db_name', 'index_state', 'requires_grad')

class PairIndices(name=None, db_name=None, index_state=None)

Bases: PairCache, InputNode

index_state = 'Unlabeled'

input_type_str = 'PairIndices'

serialization_attributes = ('db_name', 'index_state', 'requires_grad')

class PositionsNode(name=None, db_name=None, index_state=None)

Bases: Positions, InputNode

index_state = 'SysAtom'

input_type_str = 'Positions'

serialization_attributes = ('db_name', 'index_state', 'requires_grad')

class SpeciesNode(name=None, db_name=None, index_state=None)

Bases: Species, InputNode

index_state = 'SysAtom'

input_type_str = 'Species'

serialization_attributes = ('db_name', 'index_state', 'requires_grad')

class SplitIndices

Bases: InputNode

index_state = 'Systems'

input_type_str = 'Index'

serialization_attributes = ('db_name', 'index_state', 'requires_grad')

class SystemIndices

Bases: InputNode

index_state = 'Systems'

input_type_str = 'Index'

serialization_attributes = ('db_name', 'index_state', 'requires_grad')