httk.atomistic.structurephasediagram module

class httk.atomistic.structurephasediagram.StructurePhaseDiagram(structures, energies, hull_indices, competing_indices, hull_competing_indices, hull_distances, coord_system, phase_lines)[source]

Bases: HttkObject

Represents a phase diagram of structures

classmethod create(structures, energies)[source]
get_phasediagram()[source]
class httk.atomistic.structurephasediagram.StructurePhaseDiagramCompetingIndicies(indices)[source]

Bases: HttkObject

classmethod create(indices)[source]
httk.atomistic.structurephasediagram.main()[source]
httk.atomistic.structurephasediagram.setup_phasediagram(structures, energies)[source]