Reference Guide

Use this section when you already know the command or concept you need. Start from the general overview if you want the CLI structure first, or jump directly to the subcommand reference when you need options and file details.

Reference Overview

General Description

Read this first to understand how the TurboGenius CLI is organized and which commands are available.

Subcommand Reference

Look up command-specific options, inputs, outputs, and usage details.

Most Used Commands

Workflow setup

makefort10 and prep for trial wave functions and DFT setup.

Wave function conversion

convertfort10mol, convertfort10, and convertwf for format and ansatz conversion.

QMC runs

vmc, vmcopt, lrdmc, and lrdmcopt for production calculations and optimization.

Utilities

Supporting commands for post-processing, orbitals, and workflow inspection.