deeperwin.process_molecules_shared.WaveFunctionData

class deeperwin.process_molecules_shared.WaveFunctionData(mcmc_state: deeperwin.mcmc.MCMCState = None, clipping_params: Union[Tuple[float], NoneType] = None, n_opt_epochs: int = 0, last_epoch_optimized: int = 0)[source]

Bases: object

__init__(mcmc_state: Optional[deeperwin.mcmc.MCMCState] = None, clipping_params: Optional[Tuple[float]] = None, n_opt_epochs: int = 0, last_epoch_optimized: int = 0) → None

Methods

__init__([mcmc_state, clipping_params, ...])

Attributes

`checkpoints`
`clipping_params`
`current_metrics`
`fixed_params`
`last_epoch_optimized`
`loggers`
`mcmc_state`
`n_opt_epochs`
`physical`
`unique_trainable_params`