Guides

Use this section when you already picked a system and want to run, analyze, tune, or debug a workflow. If you are new to JaQMC, start with Quick Start.

Run Workflows

• Running Workflows — debug runs, production runs, resume/branch/evaluate, and reporting checklist.

• Configuring Simulations — CLI overrides, YAML layering, and --dry-run.

Analyze Results

• Training Statistics — read and visualize train_stats.* for optimization diagnostics.

• Analyzing Evaluations — extract final observables and uncertainty from evaluation outputs.

• Analyzing Wavefunctions — inspect learned wavefunction behavior and diagnostics.

Tune Components

• Wavefunction Architectures — choose and tune built-in wavefunction architectures.

• Optimizers — pick and configure optimization methods.

• Sampling — tune MCMC behavior and acceptance.

• Writers — control which statistics are written and where.

Physics and Estimators

• How Estimators Work — estimator physics, formulas, and computational details.

• Periodic Boundary Conditions — PBC concepts and practical implications for solids.

Scale and Reliability

• Multi-Device — run across multiple GPUs/devices.

• Troubleshooting — common failures, NaNs, and recovery paths.