Reference

API reference

workflow items

• class Convertfort10_workflow
• class Convertfort10mol_workflow
• class Conversion_wf_workflow
• class DFT_workflow
• class Init_occ_workflow
• class Jastrowcopy_workflow
• class LRDMC_workflow
• class LRDMC_ext_workflow
• class LRDMCopt_workflow
• class Makefort10_workflow
• class PySCF_workflow
• class TREXIO_convert_to_turboWF
• class VMC_workflow
• class VMCopt_workflow

workflow management

• class Launcher
• class Encapsulated_Workflow
• class Variable

Configurations

• Configuration Files
  • Configuration File Structure
  • machine_data.yaml
  • package.yaml
  • queue_data.toml
  • Job Script Templates (submit_mpi.sh, submit_nompi.sh)

Command-line tools

• turbo-jobmanager command