viperleed.calc.files.vibrocc

Functions for reading and writing the VIBROCC file.

Functions

checkVIBROCC(rp, slab[, generate, silent])

Fills default values and does consistency check of site vibrational amplitudes and occupations.

readVIBROCC(rp, slab[, filename, silent])

Reads VIBROCC and adds the information to all sites in the slab.

writeVIBROCC(sl, rp[, filename, silent])

Writes a new VIBROCC file with the optimized parameters obtained after the search.