deeperwin

Modules

`deeperwin.checkpoints`
`deeperwin.cli`
`deeperwin.configuration`	DeepErwin hyperparameter and configuration management.
`deeperwin.curvature_tags_and_blocks`	Curvature blocks for FermiNet.
`deeperwin.evaluation`	Logic for wavefunction evaluation.
`deeperwin.hamiltonian`	Computation of local energies and forces.
`deeperwin.local_features`
`deeperwin.loggers`	Logging of metrics and weights to local disk and web services.
`deeperwin.mcmc`	Logic for Markov chain Monte Carlo (MCMC) steps.
`deeperwin.model`
`deeperwin.optimization`	Logic for wavefunction optimization.
`deeperwin.optimizers`
`deeperwin.orbitals`	Contains the physical baseline model (e.g.
`deeperwin.process_molecule`	CLI to process a single molecule.
`deeperwin.process_molecules_shared`	CLI to process multiple molecules with shared optimization.
`deeperwin.run_tools`
`deeperwin.utils`	Helper functions.