viperleed.calc.sections.refcalc

Section Reference Calculation.

Functions

compile_refcalc(comptask)

Function meant to be executed by parallelized workers.

edit_fin_energy_lmax(runtask)

modify FIN: replace the energy range (second line)

refcalc(sl, rp[, subdomain, parent_dir])

Main function to execute the reference calculation segment.

refcalc_domains(rp)

Runs reference calculations for the domains that require them.

runDomainRefcalc(dp)

Runs the reference calculation for one domain, based on the DomainParameters object.

run_refcalc(runtask)

Runs a part of a reference calculation in a subfolder, or the whole refcalc here if in single-threaded mode.

Classes

RefcalcCompileTask(param, lmax, ...[, basedir])

Stores information for a worker to compile a refcalc file, and keeps track of the folder that the compiled file is in afterwards.

RefcalcRunTask(fin, energy, comptask, logname)

Stores information for a worker to create a subfolder, copy input there, compile and run a reference calculation, and copy results back.