deeperwin.optimization

Logic for wavefunction optimization.

Functions

build_value_and_grad_func(log_psi_sqr_func, ...)	Returns a callable that computes the gradient of the mean local energy for a given set of MCMC walkers with respect to the model defined by log_psi_func.
init_clipping_state()
optimize_wavefunction(log_psi_squared, ...)	Minimizes the energy of the wavefunction defined by the callable log_psi_squared by adjusting the trainable parameters.
pretrain_orbitals(orbital_func, mcmc_state, ...)