TurboWorkflows Manual
TurboWorkflows automates multi-step QMC workflows by combining TurboGenius with remote execution, file transfer, and workflow management. Use this manual when you need to coordinate calculations across machines, queueing systems, and dependent workflow stages.
Workflow classes such as VMC_workflow and LRDMC_workflow estimate required sampling, submit production jobs, and manage sequential execution.
The Launcher resolves dependencies between workflows and schedules independent jobs using a directed acyclic graph (DAG) model.
The tutorials show complete examples such as PySCF → TREXIO conversion → TurboRVB wave function generation → VMC optimization → VMC → LRDMC.
Choose Where to Start
Getting Started
Install TurboWorkflows, configure machine settings, and understand the execution environment.
Tutorials
Follow end-to-end workflow examples, including sequential and remote job execution.
Troubleshooting Guide
Diagnose installation, configuration, and execution issues.
Reference Guide
Look up workflow classes, launcher behavior, configuration files, and CLI tools.
Appendix
Check supporting configuration examples that complement the main reference.