viperleed.calc.sections.initialization

Module initialization of viperleed.calc.sections.

ViPErLEED calculation section INITIALIZATION.

Functions

init_domains(rp)

Runs an alternative initialization for the domain search.

initialization(sl, rp[, subdomain])

Runs the initialization.

make_compile_logs_dir(rp)

Create compile_logs directory where compilation logs are saved.

warn_if_slab_has_atoms_in_multiple_c_cells(...)

Log a WARNING if slab's atoms do not all belong to the same cell.