Turn-key Module

This module supports the usage of Orchestrator in an “application” mode.

Coordinating Modules

These modules coordinate the usage of one or more atomic modules for both simple and complex objectives.

Atomic Modules

These modules are considered “atomic” in that they serve single functionalities and can be considered the building blocks for the rest of the Orchestrator framework.

Utility Modules

These modules coordinate key backend functionality.

Orchestrator Inheritance Graph

Inheritance diagram of orchestrator.augmentor.augmentor_base, orchestrator.computer.descriptor.kliff, orchestrator.computer.descriptor.quests, orchestrator.computer.score.fim.fim_training_set, orchestrator.computer.score.fim.fim_property, orchestrator.computer.score.fim.fim_matching, orchestrator.computer.score.ltau, orchestrator.computer.score.quests, orchestrator.oracle.aiida.espresso, orchestrator.oracle.aiida.vasp, orchestrator.oracle.espresso, orchestrator.oracle.vasp, orchestrator.oracle.factory, orchestrator.oracle.kim, orchestrator.oracle.lammps, orchestrator.potential.chimes, orchestrator.potential.dnn, orchestrator.potential.factory, orchestrator.potential.fitsnap, orchestrator.potential.kim, orchestrator.simulator.factory, orchestrator.simulator.lammps, orchestrator.storage.colabfit, orchestrator.storage.factory, orchestrator.storage.local, orchestrator.target_property.elastic_constants, orchestrator.target_property.factory, orchestrator.target_property.kimrun, orchestrator.target_property.melting_point, orchestrator.trainer.chimes, orchestrator.trainer.factory, orchestrator.trainer.fitsnap, orchestrator.trainer.kliff.kliff_dunn_trainer, orchestrator.trainer.kliff.kliff_parametric_trainer, orchestrator.utils.module_factory, orchestrator.utils.restart, orchestrator.utils.templates, orchestrator.workflow.aiida, orchestrator.workflow.factory, orchestrator.workflow.local, orchestrator.workflow.lsf, orchestrator.workflow.slurm, orchestrator.workflow.slurm_to_lsf