viperleed.calc.files.iodeltas

Module iodeltas of viperleed.calc.files.

Defines functions for reading and writing files relevant to the delta-amplitudes calculation.

Functions

checkDelta(filename, at, el, rp)	Checks whether a given delta file corresponds to the requested displacements of a given atom.
collect_static_input_files(slab, rpars)	Collect the contents of input files common to all delta calculations.
generateDeltaBasic(sl, rp)	Generates the part of the input for delta-amplitudes that is the same for all atoms, and returns it as a string.
generateDeltaInput(atom, targetel, sl, rp, ...)	Generates a PARAM file and delta input for one element of one atom.
write_delta_input_file(compile_tasks, run_tasks)	Write a collection of the inputs for all delta calculations.