viperleed.calc.sections.fd_optimization

Section Full-dynamic Optimization.

Functions

apply_scaling(sl, rp, which, scale)

fd_optimization(sl, rp)

Runs multiple consecutive reference calculations and r-factor calculations optimizing a parameter, as defined by OPTIMIZE in PARAMETERS.

get_fd_r(slab, rpars, workdir)

Run reference and R-factor calculations.

Exceptions

FullDynamicCalculationError

Base class for exceptions raised by the full dynamic calculation.

FullDynamicOptimizationOutOfBoundsError

Raised when the optimization is out of bounds.